4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide

C22H27N5O — CID 10547608

IUPAC4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-16(19-6-4-3-5-7-19)24-22(28)26-12-9-18(10-13-26)15-27-17(2)25-20-14-23-11-8-21(20)27/h3-8,11,14,16,18H,9-10,12-13,15H2,1-2H3,(H,24,28)/t16-/m1/s1
InChIKeyIGCBJKJVIJMQSU-MRXNPFEDSA-N
MW377.49 g/mol
LogP3.92
Rot. Bonds4

About 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide

4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide (PubChem CID 10547608) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide
PubChem CID10547608
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-16(19-6-4-3-5-7-19)24-22(28)26-12-9-18(10-13-26)15-27-17(2)25-20-14-23-11-8-21(20)27/h3-8,11,14,16,18H,9-10,12-13,15H2,1-2H3,(H,24,28)/t16-/m1/s1
InChIKeyIGCBJKJVIJMQSU-MRXNPFEDSA-N
XLogP3.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide (CID 10547608) is 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide is Cc1nc2cnccc2n1CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1.
What is the InChIKey of 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide?
The InChIKey is IGCBJKJVIJMQSU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16(19-6-4-3-5-7-19)24-22(28)26-12-9-18(10-13-26)15-27-17(2)25-20-14-23-11-8-21(20)27/h3-8,11,14,16,18H,9-10,12-13,15H2,1-2H3,(H,24,28)/t16-/m1/s1.
What are the key properties of 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide?
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 10547608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).