(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide

C13H24N2O3 — CID 129392973

IUPAC(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOC[C@H]1CCCO1)[C@H]1CCCNC1
InChIInChI=1S/C13H24N2O3/c16-13(11-3-1-5-14-9-11)15-6-8-17-10-12-4-2-7-18-12/h11-12,14H,1-10H2,(H,15,16)/t11-,12+/m0/s1
InChIKeySCYGLBDBWCWMQL-NWDGAFQWSA-N
MW256.35 g/mol
LogP0.30
Rot. Bonds6

About (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide

(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide (PubChem CID 129392973) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide
PubChem CID129392973
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOC[C@H]1CCCO1)[C@H]1CCCNC1
InChIInChI=1S/C13H24N2O3/c16-13(11-3-1-5-14-9-11)15-6-8-17-10-12-4-2-7-18-12/h11-12,14H,1-10H2,(H,15,16)/t11-,12+/m0/s1
InChIKeySCYGLBDBWCWMQL-NWDGAFQWSA-N
XLogP0.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
CID 81134707
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide
CID 102779077
N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119693933
oxan-2-ylmethyl piperidine-3-carboxylate
CID 61279233
oxan-2-ylmethyl (3S)-piperidine-3-carboxylate
CID 81126221
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide
CID 111414866
N-[3-(oxolan-3-yloxy)propyl]piperidine-3-carboxamide
CID 119340232
(3R)-N-(3-ethenoxypropyl)piperidine-3-carboxamide
CID 81140451
N-[2-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111409222

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide (CID 129392973) is (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide is O=C(NCCOC[C@H]1CCCO1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide?
The InChIKey is SCYGLBDBWCWMQL-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-13(11-3-1-5-14-9-11)15-6-8-17-10-12-4-2-7-18-12/h11-12,14H,1-10H2,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide?
(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 129392973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).