2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide

C19H23ClN2O2 — CID 26405742

IUPAC2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN(C(=O)C2=CCCC2)C1)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O2/c20-17-10-4-3-9-16(17)18(23)21-12-14-6-5-11-22(13-14)19(24)15-7-1-2-8-15/h3-4,7,9-10,14H,1-2,5-6,8,11-13H2,(H,21,23)/t14-/m1/s1
InChIKeyVELWJHCQYNQUTN-CQSZACIVSA-N
MW346.86 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide

2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 26405742) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID26405742
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN(C(=O)C2=CCCC2)C1)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O2/c20-17-10-4-3-9-16(17)18(23)21-12-14-6-5-11-22(13-14)19(24)15-7-1-2-8-15/h3-4,7,9-10,14H,1-2,5-6,8,11-13H2,(H,21,23)/t14-/m1/s1
InChIKeyVELWJHCQYNQUTN-CQSZACIVSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
1-(4-chlorophenyl)-N-[[(3S)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42379771
2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
CID 26398170
2-chloro-N-[[1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 45249030
2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 26402341
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42558040
3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 24790774
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide (CID 26405742) is 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide is O=C(NC[C@H]1CCCN(C(=O)C2=CCCC2)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is VELWJHCQYNQUTN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-17-10-4-3-9-16(17)18(23)21-12-14-6-5-11-22(13-14)19(24)15-7-1-2-8-15/h3-4,7,9-10,14H,1-2,5-6,8,11-13H2,(H,21,23)/t14-/m1/s1.
What are the key properties of 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide?
2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 346.86 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 26405742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).