(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide

C12H22N2O2 — CID 81141151

IUPAC(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C12H22N2O2/c15-12(11-2-1-5-13-9-11)14-8-10-3-6-16-7-4-10/h10-11,13H,1-9H2,(H,14,15)/t11-/m0/s1
InChIKeyWBKRGMQVMYLVSH-NSHDSACASA-N
MW226.32 g/mol
LogP0.53
Rot. Bonds3

About (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide

(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 81141151) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
PubChem CID81141151
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C12H22N2O2/c15-12(11-2-1-5-13-9-11)14-8-10-3-6-16-7-4-10/h10-11,13H,1-9H2,(H,14,15)/t11-/m0/s1
InChIKeyWBKRGMQVMYLVSH-NSHDSACASA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 53410772
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
(3R)-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 81128117
N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 61271600
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
(3R)-N-[(3-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 106134003
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide
CID 81140775
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
CID 119260134

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide (CID 81141151) is (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide is O=C(NCC1CCOCC1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is WBKRGMQVMYLVSH-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(11-2-1-5-13-9-11)14-8-10-3-6-16-7-4-10/h10-11,13H,1-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81141151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).