2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide

C20H28ClN3O2 — CID 170580165

IUPAC2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCN2)CC1
InChIInChI=1S/C20H28ClN3O2/c1-14(25)24-10-7-15(8-11-24)12-19(26)23-20(18-6-3-9-22-18)16-4-2-5-17(21)13-16/h2,4-5,13,15,18,20,22H,3,6-12H2,1H3,(H,23,26)/t18?,20-/m0/s1
InChIKeyXFBKCXOTQZMLAH-IJHRGXPZSA-N
MW377.92 g/mol
LogP2.90
Rot. Bonds5

About 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide

2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide (PubChem CID 170580165) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide
PubChem CID170580165
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCN2)CC1
InChIInChI=1S/C20H28ClN3O2/c1-14(25)24-10-7-15(8-11-24)12-19(26)23-20(18-6-3-9-22-18)16-4-2-5-17(21)13-16/h2,4-5,13,15,18,20,22H,3,6-12H2,1H3,(H,23,26)/t18?,20-/m0/s1
InChIKeyXFBKCXOTQZMLAH-IJHRGXPZSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
CID 23928172
methyl (2S)-2-(3-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45259428
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259420
2-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514159
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 170579921
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea
CID 170578486
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
CID 9181207
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843
(3R)-3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(3-chlorophenyl)propanamide
CID 119819997
2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine
CID 11499958

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide (CID 170580165) is 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide is CC(=O)N1CCC(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCN2)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide?
The InChIKey is XFBKCXOTQZMLAH-IJHRGXPZSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-14(25)24-10-7-15(8-11-24)12-19(26)23-20(18-6-3-9-22-18)16-4-2-5-17(21)13-16/h2,4-5,13,15,18,20,22H,3,6-12H2,1H3,(H,23,26)/t18?,20-/m0/s1.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide?
2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide has a molecular weight of 377.92 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide is sourced from PubChem (CID 170580165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).