N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide

C19H28ClN3O2 — CID 119738720

IUPACN-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C19H28ClN3O2/c1-14(15-8-11-21-12-9-15)13-19(25)22-10-2-3-18(24)23-17-6-4-16(20)5-7-17/h4-7,14-15,21H,2-3,8-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyNSLKQUFYOCWEMI-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.20
Rot. Bonds8

About N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide

N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide (PubChem CID 119738720) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
PubChem CID119738720
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C19H28ClN3O2/c1-14(15-8-11-21-12-9-15)13-19(25)22-10-2-3-18(24)23-17-6-4-16(20)5-7-17/h4-7,14-15,21H,2-3,8-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyNSLKQUFYOCWEMI-UHFFFAOYSA-N
XLogP3.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
CID 119691371
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691370
N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119813601
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040
methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate
CID 119684765
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide (CID 119738720) is N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide?
The InChIKey is NSLKQUFYOCWEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14(15-8-11-21-12-9-15)13-19(25)22-10-2-3-18(24)23-17-6-4-16(20)5-7-17/h4-7,14-15,21H,2-3,8-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide?
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide has a molecular weight of 365.91 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119738720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).