2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide

C20H30ClN3O2 — CID 119712533

IUPAC2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CC(C)C2CCCNC2)cc1Cl
InChIInChI=1S/C20H30ClN3O2/c1-4-24(5-2)20(26)17-9-8-16(12-18(17)21)23-19(25)11-14(3)15-7-6-10-22-13-15/h8-9,12,14-15,22H,4-7,10-11,13H2,1-3H3,(H,23,25)
InChIKeyPEAYCGWUZDNSTI-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.79
Rot. Bonds7

About 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide

2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide (PubChem CID 119712533) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
PubChem CID119712533
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CC(C)C2CCCNC2)cc1Cl
InChIInChI=1S/C20H30ClN3O2/c1-4-24(5-2)20(26)17-9-8-16(12-18(17)21)23-19(25)11-14(3)15-7-6-10-22-13-15/h8-9,12,14-15,22H,4-7,10-11,13H2,1-3H3,(H,23,25)
InChIKeyPEAYCGWUZDNSTI-UHFFFAOYSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119845919
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride
CID 119739180
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The IUPAC name of 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide (CID 119712533) is 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CC(C)C2CCCNC2)cc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The InChIKey is PEAYCGWUZDNSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-4-24(5-2)20(26)17-9-8-16(12-18(17)21)23-19(25)11-14(3)15-7-6-10-22-13-15/h8-9,12,14-15,22H,4-7,10-11,13H2,1-3H3,(H,23,25).
What are the key properties of 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide has a molecular weight of 379.93 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide is sourced from PubChem (CID 119712533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).