N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide

C17H24ClN3O — CID 119926822

IUPACN-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NCC2CC2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O/c18-14-2-1-3-16(10-14)20-17(22)12-21-8-6-15(7-9-21)19-11-13-4-5-13/h1-3,10,13,15,19H,4-9,11-12H2,(H,20,22)
InChIKeyURQYWRYDSSKWFH-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.74
Rot. Bonds6

About N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide

N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide (PubChem CID 119926822) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
PubChem CID119926822
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC NameN-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NCC2CC2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O/c18-14-2-1-3-16(10-14)20-17(22)12-21-8-6-15(7-9-21)19-11-13-4-5-13/h1-3,10,13,15,19H,4-9,11-12H2,(H,20,22)
InChIKeyURQYWRYDSSKWFH-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 119926805
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119926804
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119926462
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995802
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide (CID 119926822) is N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide is O=C(CN1CCC(NCC2CC2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide?
The InChIKey is URQYWRYDSSKWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-14-2-1-3-16(10-14)20-17(22)12-21-8-6-15(7-9-21)19-11-13-4-5-13/h1-3,10,13,15,19H,4-9,11-12H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide has a molecular weight of 321.85 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 119926822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).