2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide

C16H23ClN2O2 — CID 91159436

IUPAC2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide
SMILESCCC(OC(c1cccc(Cl)c1)C1CCCNC1)C(N)=O
InChIInChI=1S/C16H23ClN2O2/c1-2-14(16(18)20)21-15(12-6-4-8-19-10-12)11-5-3-7-13(17)9-11/h3,5,7,9,12,14-15,19H,2,4,6,8,10H2,1H3,(H2,18,20)
InChIKeyHMSBHFHLWYEUDO-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.66
Rot. Bonds6

About 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide

2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide (PubChem CID 91159436) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide
PubChem CID91159436
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide
SMILESCCC(OC(c1cccc(Cl)c1)C1CCCNC1)C(N)=O
InChIInChI=1S/C16H23ClN2O2/c1-2-14(16(18)20)21-15(12-6-4-8-19-10-12)11-5-3-7-13(17)9-11/h3,5,7,9,12,14-15,19H,2,4,6,8,10H2,1H3,(H2,18,20)
InChIKeyHMSBHFHLWYEUDO-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
(2S)-2-(3-chlorophenyl)-2-[(3R)-piperidin-3-yl]oxyacetamide
CID 99980721
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68715376
(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
CID 67192571
4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116594441
methyl 2-(3-piperidin-3-ylphenyl)butanoate
CID 116988779
[2-(3-chlorophenyl)-2-cyclopentylacetyl] piperazine-1-carboxylate
CID 141128599
ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate
CID 148697514

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide?
The IUPAC name of 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide (CID 91159436) is 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide?
The canonical SMILES for 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide is CCC(OC(c1cccc(Cl)c1)C1CCCNC1)C(N)=O.
What is the InChIKey of 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide?
The InChIKey is HMSBHFHLWYEUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-14(16(18)20)21-15(12-6-4-8-19-10-12)11-5-3-7-13(17)9-11/h3,5,7,9,12,14-15,19H,2,4,6,8,10H2,1H3,(H2,18,20).
What are the key properties of 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide?
2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide has a molecular weight of 310.83 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)-piperidin-3-ylmethoxy]butanamide is sourced from PubChem (CID 91159436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).