3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide

C19H30N4O2 — CID 110028358

IUPAC3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC(C(C)O)C2)c(N2CCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-14-7-8-16(18(21-14)22-9-3-4-10-22)12-20-19(25)23-11-5-6-17(13-23)15(2)24/h7-8,15,17,24H,3-6,9-13H2,1-2H3,(H,20,25)
InChIKeyFFQVHDDSIGDOMB-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.29
Rot. Bonds4

About 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide

3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 110028358) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID110028358
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC(C(C)O)C2)c(N2CCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-14-7-8-16(18(21-14)22-9-3-4-10-22)12-20-19(25)23-11-5-6-17(13-23)15(2)24/h7-8,15,17,24H,3-6,9-13H2,1-2H3,(H,20,25)
InChIKeyFFQVHDDSIGDOMB-UHFFFAOYSA-N
XLogP2.29
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide (CID 110028358) is 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCCC(C(C)O)C2)c(N2CCCC2)n1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is FFQVHDDSIGDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-7-8-16(18(21-14)22-9-3-4-10-22)12-20-19(25)23-11-5-6-17(13-23)15(2)24/h7-8,15,17,24H,3-6,9-13H2,1-2H3,(H,20,25).
What are the key properties of 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide?
3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110028358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).