1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea

C17H25ClN4O2 — CID 119373757

IUPAC1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C17H25ClN4O2/c1-17(2,3)21-16(24)20-12-4-5-14(18)13(10-12)15(23)22-8-6-11(19)7-9-22/h4-5,10-11H,6-9,19H2,1-3H3,(H2,20,21,24)
InChIKeyPAXXQQVVQNSUCF-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.82
Rot. Bonds2

About 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea

1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea (PubChem CID 119373757) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea
PubChem CID119373757
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C17H25ClN4O2/c1-17(2,3)21-16(24)20-12-4-5-14(18)13(10-12)15(23)22-8-6-11(19)7-9-22/h4-5,10-11H,6-9,19H2,1-3H3,(H2,20,21,24)
InChIKeyPAXXQQVVQNSUCF-UHFFFAOYSA-N
XLogP2.82
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-[4-chloro-3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea
CID 119543639
N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide
CID 119376974
N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 119376973
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-chlorophenyl]-3-tert-butylurea;hydrochloride
CID 120809764
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide
CID 119413561
1-tert-butyl-3-[4-chloro-3-(2-methylpiperazine-1-carbonyl)phenyl]urea
CID 119470828
2-[1-[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 120515452
1-tert-butyl-3-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42751588
N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide
CID 119381901
N-[4-chloro-3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119547071
4-[1-[5-[[(E)-2-(aminomethyl)-3-(tert-butylamino)-3-(4-chlorophenyl)prop-2-enoyl]amino]-2-chlorobenzoyl]piperidin-4-yl]benzoic acid
CID 143452269
N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 119626864

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea?
The IUPAC name of 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea (CID 119373757) is 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea.
What is the SMILES notation for 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea?
The canonical SMILES for 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea is CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea?
The InChIKey is PAXXQQVVQNSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-17(2,3)21-16(24)20-12-4-5-14(18)13(10-12)15(23)22-8-6-11(19)7-9-22/h4-5,10-11H,6-9,19H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea?
1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea has a molecular weight of 352.87 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea is sourced from PubChem (CID 119373757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).