3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one

C21H25ClN2O2 — CID 118263406

IUPAC3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one
SMILESO=c1c(Cl)c(N2CCC(CO)(c3ccccc3)CC2)ccn1CC1CC1
InChIInChI=1S/C21H25ClN2O2/c22-19-18(8-11-24(20(19)26)14-16-6-7-16)23-12-9-21(15-25,10-13-23)17-4-2-1-3-5-17/h1-5,8,11,16,25H,6-7,9-10,12-15H2
InChIKeyPQKNUGYBEXRRLM-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.44
Rot. Bonds5

About 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one

3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one (PubChem CID 118263406) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one
PubChem CID118263406
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one
SMILESO=c1c(Cl)c(N2CCC(CO)(c3ccccc3)CC2)ccn1CC1CC1
InChIInChI=1S/C21H25ClN2O2/c22-19-18(8-11-24(20(19)26)14-16-6-7-16)23-12-9-21(15-25,10-13-23)17-4-2-1-3-5-17/h1-5,8,11,16,25H,6-7,9-10,12-15H2
InChIKeyPQKNUGYBEXRRLM-UHFFFAOYSA-N
XLogP3.44
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one?
The IUPAC name of 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one (CID 118263406) is 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one?
The canonical SMILES for 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one is O=c1c(Cl)c(N2CCC(CO)(c3ccccc3)CC2)ccn1CC1CC1.
What is the InChIKey of 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one?
The InChIKey is PQKNUGYBEXRRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-18(8-11-24(20(19)26)14-16-6-7-16)23-12-9-21(15-25,10-13-23)17-4-2-1-3-5-17/h1-5,8,11,16,25H,6-7,9-10,12-15H2.
What are the key properties of 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one?
3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one has a molecular weight of 372.90 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one is sourced from PubChem (CID 118263406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).