N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid

C21H29N5O5 — CID 155878922

IUPACN-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid
SMILESO=C(NCC1CC1)C1(n2ccnc2)CCCN(Cc2ccncc2)C1.O=CO.O=CO
InChIInChI=1S/C19H25N5O.2CH2O2/c25-18(22-12-16-2-3-16)19(24-11-9-21-15-24)6-1-10-23(14-19)13-17-4-7-20-8-5-17;2*2-1-3/h4-5,7-9,11,15-16H,1-3,6,10,12-14H2,(H,22,25);2*1H,(H,2,3)
InChIKeyGFRDCCIULAYSTQ-UHFFFAOYSA-N
MW431.49 g/mol
LogP1.20
Rot. Bonds6

About N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid

N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid (PubChem CID 155878922) has the molecular formula C21H29N5O5 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid
PubChem CID155878922
Molecular FormulaC21H29N5O5
Molecular Weight431.49 g/mol
Exact Mass431.22
IUPAC NameN-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid
SMILESO=C(NCC1CC1)C1(n2ccnc2)CCCN(Cc2ccncc2)C1.O=CO.O=CO
InChIInChI=1S/C19H25N5O.2CH2O2/c25-18(22-12-16-2-3-16)19(24-11-9-21-15-24)6-1-10-23(14-19)13-17-4-7-20-8-5-17;2*2-1-3/h4-5,7-9,11,15-16H,1-3,6,10,12-14H2,(H,22,25);2*1H,(H,2,3)
InChIKeyGFRDCCIULAYSTQ-UHFFFAOYSA-N
XLogP1.20
TPSA137.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide
CID 155871687
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 155875558
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 171695932
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155875530
4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871591
N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid
CID 155879875
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid
CID 155871130
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375811
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid?
The IUPAC name of N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid (CID 155878922) is N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid.
What is the SMILES notation for N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid?
The canonical SMILES for N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid is O=C(NCC1CC1)C1(n2ccnc2)CCCN(Cc2ccncc2)C1.O=CO.O=CO.
What is the InChIKey of N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid?
The InChIKey is GFRDCCIULAYSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.2CH2O2/c25-18(22-12-16-2-3-16)19(24-11-9-21-15-24)6-1-10-23(14-19)13-17-4-7-20-8-5-17;2*2-1-3/h4-5,7-9,11,15-16H,1-3,6,10,12-14H2,(H,22,25);2*1H,(H,2,3).
What are the key properties of N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid?
N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid has a molecular weight of 431.49 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid is sourced from PubChem (CID 155878922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).