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

C24H31N5O2 — CID 10717081

IUPACN-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
SMILESCCOC[C@@H](NC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C24H31N5O2/c1-3-31-17-22(20-7-5-4-6-8-20)27-24(30)28-13-10-19(11-14-28)16-29-18(2)26-21-15-25-12-9-23(21)29/h4-9,12,15,19,22H,3,10-11,13-14,16-17H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyBGLSABLFDNHPOD-JOCHJYFZSA-N
MW421.55 g/mol
LogP3.94
Rot. Bonds7

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

N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 10717081) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID10717081
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
SMILESCCOC[C@@H](NC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C24H31N5O2/c1-3-31-17-22(20-7-5-4-6-8-20)27-24(30)28-13-10-19(11-14-28)16-29-18(2)26-21-15-25-12-9-23(21)29/h4-9,12,15,19,22H,3,10-11,13-14,16-17H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyBGLSABLFDNHPOD-JOCHJYFZSA-N
XLogP3.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide (CID 10717081) is N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide is CCOC[C@@H](NC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is BGLSABLFDNHPOD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-3-31-17-22(20-7-5-4-6-8-20)27-24(30)28-13-10-19(11-14-28)16-29-18(2)26-21-15-25-12-9-23(21)29/h4-9,12,15,19,22H,3,10-11,13-14,16-17H2,1-2H3,(H,27,30)/t22-/m1/s1.
What are the key properties of N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 10717081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).