N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C24H32N4O3 — CID 35710271

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)c(C)c2)CC1
InChIInChI=1S/C24H32N4O3/c1-3-26-11-13-27(14-12-26)21-4-5-22(18(2)16-21)25-23(29)19-6-9-28(10-7-19)24(30)20-8-15-31-17-20/h4-5,8,15-17,19H,3,6-7,9-14H2,1-2H3,(H,25,29)
InChIKeyDFUGENHPRYNMLX-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.22
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 35710271) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID35710271
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)c(C)c2)CC1
InChIInChI=1S/C24H32N4O3/c1-3-26-11-13-27(14-12-26)21-4-5-22(18(2)16-21)25-23(29)19-6-9-28(10-7-19)24(30)20-8-15-31-17-20/h4-5,8,15-17,19H,3,6-7,9-14H2,1-2H3,(H,25,29)
InChIKeyDFUGENHPRYNMLX-UHFFFAOYSA-N
XLogP3.22
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56515562
methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate
CID 35676238
2-(cyclopropanecarbonylamino)-5-(4-ethylpiperazin-1-yl)benzoic acid
CID 50782275
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610358
ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 134060480
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
5-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55415310
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(2-methyl-4-nitrophenyl)oxamide
CID 90521979

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 35710271) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CCN1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is DFUGENHPRYNMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-3-26-11-13-27(14-12-26)21-4-5-22(18(2)16-21)25-23(29)19-6-9-28(10-7-19)24(30)20-8-15-31-17-20/h4-5,8,15-17,19H,3,6-7,9-14H2,1-2H3,(H,25,29).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 35710271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).