(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide

C20H22N2O2 — CID 70699423

IUPAC(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1c2ccccc2Oc2ccccc21)[C@H]1CCCNC1
InChIInChI=1S/C20H22N2O2/c23-20(14-6-5-11-21-12-14)22-13-17-15-7-1-3-9-18(15)24-19-10-4-2-8-16(17)19/h1-4,7-10,14,17,21H,5-6,11-13H2,(H,22,23)/t14-/m0/s1
InChIKeyWUFJDXQJUMCLAA-AWEZNQCLSA-N
MW322.41 g/mol
LogP3.04
Rot. Bonds3

About (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide

(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide (PubChem CID 70699423) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
PubChem CID70699423
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1c2ccccc2Oc2ccccc21)[C@H]1CCCNC1
InChIInChI=1S/C20H22N2O2/c23-20(14-6-5-11-21-12-14)22-13-17-15-7-1-3-9-18(15)24-19-10-4-2-8-16(17)19/h1-4,7-10,14,17,21H,5-6,11-13H2,(H,22,23)/t14-/m0/s1
InChIKeyWUFJDXQJUMCLAA-AWEZNQCLSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-3-carboxamide
CID 61249148
tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate
CID 143321778
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 53410772
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81141151
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide (CID 70699423) is (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide is O=C(NCC1c2ccccc2Oc2ccccc21)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide?
The InChIKey is WUFJDXQJUMCLAA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(14-6-5-11-21-12-14)22-13-17-15-7-1-3-9-18(15)24-19-10-4-2-8-16(17)19/h1-4,7-10,14,17,21H,5-6,11-13H2,(H,22,23)/t14-/m0/s1.
What are the key properties of (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide?
(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 70699423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).