N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

C18H24ClN3O2 — CID 95622494

IUPACN-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H](C(=O)N2CCCC2)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H24ClN3O2/c19-15-6-3-7-16(11-15)20-17(23)13-21-8-4-5-14(12-21)18(24)22-9-1-2-10-22/h3,6-7,11,14H,1-2,4-5,8-10,12-13H2,(H,20,23)/t14-/m0/s1
InChIKeyYMXIXHZPZIYLJF-AWEZNQCLSA-N
MW349.86 g/mol
LogP2.61
Rot. Bonds4

About N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (PubChem CID 95622494) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
PubChem CID95622494
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H](C(=O)N2CCCC2)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H24ClN3O2/c19-15-6-3-7-16(11-15)20-17(23)13-21-8-4-5-14(12-21)18(24)22-9-1-2-10-22/h3,6-7,11,14H,1-2,4-5,8-10,12-13H2,(H,20,23)/t14-/m0/s1
InChIKeyYMXIXHZPZIYLJF-AWEZNQCLSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 34905366
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (CID 95622494) is N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is O=C(CN1CCC[C@H](C(=O)N2CCCC2)C1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is YMXIXHZPZIYLJF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-15-6-3-7-16(11-15)20-17(23)13-21-8-4-5-14(12-21)18(24)22-9-1-2-10-22/h3,6-7,11,14H,1-2,4-5,8-10,12-13H2,(H,20,23)/t14-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 349.86 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95622494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).