N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide

C32H39N5O3 — CID 139904500

IUPACN-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide
SMILESCCC(=O)N1CCC(Cn2cncc2Cn2cc(-c3cccc4ccccc34)cc2C(=O)NCCCOC)CC1
InChIInChI=1S/C32H39N5O3/c1-3-31(38)35-15-12-24(13-16-35)20-37-23-33-19-27(37)22-36-21-26(18-30(36)32(39)34-14-7-17-40-2)29-11-6-9-25-8-4-5-10-28(25)29/h4-6,8-11,18-19,21,23-24H,3,7,12-17,20,22H2,1-2H3,(H,34,39)
InChIKeySGOFLSYTJWKEHD-UHFFFAOYSA-N
MW541.70 g/mol
LogP4.97
Rot. Bonds11

About N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide

N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide (PubChem CID 139904500) has the molecular formula C32H39N5O3 and a molecular weight of 541.70 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide
PubChem CID139904500
Molecular FormulaC32H39N5O3
Molecular Weight541.70 g/mol
Exact Mass541.31
IUPAC NameN-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide
SMILESCCC(=O)N1CCC(Cn2cncc2Cn2cc(-c3cccc4ccccc34)cc2C(=O)NCCCOC)CC1
InChIInChI=1S/C32H39N5O3/c1-3-31(38)35-15-12-24(13-16-35)20-37-23-33-19-27(37)22-36-21-26(18-30(36)32(39)34-14-7-17-40-2)29-11-6-9-25-8-4-5-10-28(25)29/h4-6,8-11,18-19,21,23-24H,3,7,12-17,20,22H2,1-2H3,(H,34,39)
InChIKeySGOFLSYTJWKEHD-UHFFFAOYSA-N
XLogP4.97
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.70
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide
CID 139978647
N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide
CID 139935698
N-(3-hydroxypropyl)-1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylpyrrole-2-carboxamide
CID 139978646
[4-[[5-[[3-(4-methylpiperazine-1-carbonyl)-4-naphthalen-1-ylpyrrol-1-yl]methyl]imidazol-1-yl]methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 22960962
benzyl 4-[[5-[[4-(morpholine-4-carbonyl)-3-naphthalen-1-ylpyrazol-1-yl]methyl]imidazol-1-yl]methyl]piperidine-1-carboxylate
CID 22891997
(4-methylpiperazin-1-yl)-[4-naphthalen-1-yl-1-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]pyrrol-3-yl]methanone
CID 18435763
N-benzyl-4-[[5-(chloromethyl)imidazol-1-yl]methyl]piperidine-1-carboxamide
CID 142636153
(4-fluorophenyl)methyl 4-[[5-[[3-(4-methylpiperazine-1-carbonyl)-4-naphthalen-1-ylpyrrol-1-yl]methyl]imidazol-1-yl]methyl]piperidine-1-carboxylate
CID 22960960
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
N-(3-methoxypropyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095410
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide (CID 139904500) is N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide is CCC(=O)N1CCC(Cn2cncc2Cn2cc(-c3cccc4ccccc34)cc2C(=O)NCCCOC)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is SGOFLSYTJWKEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O3/c1-3-31(38)35-15-12-24(13-16-35)20-37-23-33-19-27(37)22-36-21-26(18-30(36)32(39)34-14-7-17-40-2)29-11-6-9-25-8-4-5-10-28(25)29/h4-6,8-11,18-19,21,23-24H,3,7,12-17,20,22H2,1-2H3,(H,34,39).
What are the key properties of N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide?
N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 541.70 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 139904500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).