N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

C21H29N5O3 — CID 136577622

IUPACN-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)C2CCN(Cc3nccn3C)CC2)c1
InChIInChI=1S/C21H29N5O3/c1-25-13-10-22-19(25)15-26-11-6-16(7-12-26)20(27)23-8-9-24-21(28)17-4-3-5-18(14-17)29-2/h3-5,10,13-14,16H,6-9,11-12,15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWHKXEYWVYYTGQV-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.19
Rot. Bonds8

About N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 136577622) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID136577622
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)C2CCN(Cc3nccn3C)CC2)c1
InChIInChI=1S/C21H29N5O3/c1-25-13-10-22-19(25)15-26-11-6-16(7-12-26)20(27)23-8-9-24-21(28)17-4-3-5-18(14-17)29-2/h3-5,10,13-14,16H,6-9,11-12,15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWHKXEYWVYYTGQV-UHFFFAOYSA-N
XLogP1.19
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 112840004
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
CID 135109599
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[2-(diethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3152666
methyl 1-[N-[2-[(3-methoxybenzoyl)amino]ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111254557

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 136577622) is N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is COc1cccc(C(=O)NCCNC(=O)C2CCN(Cc3nccn3C)CC2)c1.
What is the InChIKey of N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WHKXEYWVYYTGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-25-13-10-22-19(25)15-26-11-6-16(7-12-26)20(27)23-8-9-24-21(28)17-4-3-5-18(14-17)29-2/h3-5,10,13-14,16H,6-9,11-12,15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 136577622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).