(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide

C17H24ClN5O3 — CID 97445320

IUPAC(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1Cl
InChIInChI=1S/C17H24ClN5O3/c18-14-9-12(4-5-13(14)16(20)25)22-17(26)21-6-2-8-23-7-1-3-11(10-23)15(19)24/h4-5,9,11H,1-3,6-8,10H2,(H2,19,24)(H2,20,25)(H2,21,22,26)/t11-/m0/s1
InChIKeyNIRIJCSYTNFBTA-NSHDSACASA-N
MW381.86 g/mol
LogP1.15
Rot. Bonds7

About (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide

(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide (PubChem CID 97445320) has the molecular formula C17H24ClN5O3 and a molecular weight of 381.86 g/mol. Its IUPAC name is (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
PubChem CID97445320
Molecular FormulaC17H24ClN5O3
Molecular Weight381.86 g/mol
Exact Mass381.16
IUPAC Name(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1Cl
InChIInChI=1S/C17H24ClN5O3/c18-14-9-12(4-5-13(14)16(20)25)22-17(26)21-6-2-8-23-7-1-3-11(10-23)15(19)24/h4-5,9,11H,1-3,6-8,10H2,(H2,19,24)(H2,20,25)(H2,21,22,26)/t11-/m0/s1
InChIKeyNIRIJCSYTNFBTA-NSHDSACASA-N
XLogP1.15
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 118767012
ethyl 2-chloro-4-[3-[(3R)-3-methylpiperidin-1-yl]propylcarbamothioylamino]benzoate
CID 100739477
(3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
CID 97438336
(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
CID 52516463
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
ethyl 2-chloro-5-[3-(3-methylpiperidin-1-yl)propylcarbamothioylamino]benzoate
CID 133216839
4-[2-(azepan-1-yl)ethylcarbamoylamino]-2-chloro-N-ethylbenzamide
CID 118775045
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 43228705
(3S)-1-[2-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125438522
1-(3-chloro-4-fluorophenyl)-3-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiourea
CID 100739204
1-(3-chloro-4-fluorophenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]thiourea
CID 133216819
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide (CID 97445320) is (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide is NC(=O)c1ccc(NC(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1Cl.
What is the InChIKey of (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide?
The InChIKey is NIRIJCSYTNFBTA-NSHDSACASA-N. The full InChI is InChI=1S/C17H24ClN5O3/c18-14-9-12(4-5-13(14)16(20)25)22-17(26)21-6-2-8-23-7-1-3-11(10-23)15(19)24/h4-5,9,11H,1-3,6-8,10H2,(H2,19,24)(H2,20,25)(H2,21,22,26)/t11-/m0/s1.
What are the key properties of (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide?
(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 1.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 97445320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).