N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide

C26H29N3O2 — CID 3320138

IUPACN-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCCCNC(=O)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1
InChIInChI=1S/C26H29N3O2/c1-2-15-27-25(30)23-18-20(13-14-24(23)29-16-6-3-7-17-29)28-26(31)22-12-8-10-19-9-4-5-11-21(19)22/h4-5,8-14,18H,2-3,6-7,15-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyADDUHQIECXMTMD-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.22
Rot. Bonds6

About N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide

N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide (PubChem CID 3320138) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
PubChem CID3320138
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCCCNC(=O)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1
InChIInChI=1S/C26H29N3O2/c1-2-15-27-25(30)23-18-20(13-14-24(23)29-16-6-3-7-17-29)28-26(31)22-12-8-10-19-9-4-5-11-21(19)22/h4-5,8-14,18H,2-3,6-7,15-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyADDUHQIECXMTMD-UHFFFAOYSA-N
XLogP5.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031
N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42755975
5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
CID 42755610
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
N-[3-(oxolan-2-ylmethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 3994766
5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 4579577
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 4546352
5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide
CID 4002213
5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 5040811
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821

Frequently Asked Questions

What is the IUPAC name of N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide (CID 3320138) is N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide is CCCNC(=O)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1.
What is the InChIKey of N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is ADDUHQIECXMTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-2-15-27-25(30)23-18-20(13-14-24(23)29-16-6-3-7-17-29)28-26(31)22-12-8-10-19-9-4-5-11-21(19)22/h4-5,8-14,18H,2-3,6-7,15-17H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide?
N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 3320138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).