4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide

C19H28ClN3O2 — CID 119713086

IUPAC4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C19H28ClN3O2/c1-12(2)22-19(25)16-5-4-15(20)11-17(16)23-18(24)10-13(3)14-6-8-21-9-7-14/h4-5,11-14,21H,6-10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyUAOCBXWVHSAAEP-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.44
Rot. Bonds6

About 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide

4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide (PubChem CID 119713086) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
PubChem CID119713086
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C19H28ClN3O2/c1-12(2)22-19(25)16-5-4-15(20)11-17(16)23-18(24)10-13(3)14-6-8-21-9-7-14/h4-5,11-14,21H,6-10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyUAOCBXWVHSAAEP-UHFFFAOYSA-N
XLogP3.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119780279
3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119743545
4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride
CID 119712105
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119743221
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide (CID 119713086) is 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is UAOCBXWVHSAAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-12(2)22-19(25)16-5-4-15(20)11-17(16)23-18(24)10-13(3)14-6-8-21-9-7-14/h4-5,11-14,21H,6-10H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide?
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 365.91 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 119713086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).