2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide

C17H26N4O2 — CID 111427840

IUPAC2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)c1)N1CCCC1CO
InChIInChI=1S/C17H26N4O2/c22-13-15-5-4-10-21(15)17(23)19-12-14-6-7-18-16(11-14)20-8-2-1-3-9-20/h6-7,11,15,22H,1-5,8-10,12-13H2,(H,19,23)
InChIKeyRIAGGUHSPUWKDR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.74
Rot. Bonds4

About 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 111427840) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
PubChem CID111427840
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)c1)N1CCCC1CO
InChIInChI=1S/C17H26N4O2/c22-13-15-5-4-10-21(15)17(23)19-12-14-6-7-18-16(11-14)20-8-2-1-3-9-20/h6-7,11,15,22H,1-5,8-10,12-13H2,(H,19,23)
InChIKeyRIAGGUHSPUWKDR-UHFFFAOYSA-N
XLogP1.74
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55793525
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 78889575
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297325
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(2-cyclopentylethyl)urea
CID 86898877
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(2-hydroxycyclohexyl)urea
CID 111108523
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide (CID 111427840) is 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccnc(N2CCCCC2)c1)N1CCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is RIAGGUHSPUWKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-13-15-5-4-10-21(15)17(23)19-12-14-6-7-18-16(11-14)20-8-2-1-3-9-20/h6-7,11,15,22H,1-5,8-10,12-13H2,(H,19,23).
What are the key properties of 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).