N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide

C20H28ClN3O2 — CID 60523581

IUPACN-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide
SMILESCC(=O)N1CCC(NC(=O)CN(C2CC2)C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C20H28ClN3O2/c1-14(18-5-3-4-6-19(18)21)24(17-7-8-17)13-20(26)22-16-9-11-23(12-10-16)15(2)25/h3-6,14,16-17H,7-13H2,1-2H3,(H,22,26)
InChIKeyKVILKOZWKQOKCW-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.99
Rot. Bonds6

About N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide

N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide (PubChem CID 60523581) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide
PubChem CID60523581
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide
SMILESCC(=O)N1CCC(NC(=O)CN(C2CC2)C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C20H28ClN3O2/c1-14(18-5-3-4-6-19(18)21)24(17-7-8-17)13-20(26)22-16-9-11-23(12-10-16)15(2)25/h3-6,14,16-17H,7-13H2,1-2H3,(H,22,26)
InChIKeyKVILKOZWKQOKCW-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide
CID 95153800
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]acetyl]imidazolidin-2-one
CID 94531068
2-[[(1S)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51961219
2-[[(1R)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51961221
2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 84869554
N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide
CID 51107106
N-(1-acetylpiperidin-4-yl)-2-(2,3-dichloroanilino)acetamide
CID 86910665
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
CID 113171159
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide
CID 86910543

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide (CID 60523581) is N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide is CC(=O)N1CCC(NC(=O)CN(C2CC2)C(C)c2ccccc2Cl)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide?
The InChIKey is KVILKOZWKQOKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-14(18-5-3-4-6-19(18)21)24(17-7-8-17)13-20(26)22-16-9-11-23(12-10-16)15(2)25/h3-6,14,16-17H,7-13H2,1-2H3,(H,22,26).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide?
N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide has a molecular weight of 377.92 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide is sourced from PubChem (CID 60523581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).