(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate

C25H32ClN3O3 — CID 137372752

IUPAC(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
SMILESCc1ccnc(C)c1OC(=O)N1CCC(C(CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H32ClN3O3/c1-16(2)15-22(28-24(30)20-5-7-21(26)8-6-20)19-10-13-29(14-11-19)25(31)32-23-17(3)9-12-27-18(23)4/h5-9,12,16,19,22H,10-11,13-15H2,1-4H3,(H,28,30)
InChIKeyYPZWXFUDMCDNND-UHFFFAOYSA-N
MW458.00 g/mol
LogP5.41
Rot. Bonds6

About (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate

(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate (PubChem CID 137372752) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
PubChem CID137372752
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
SMILESCc1ccnc(C)c1OC(=O)N1CCC(C(CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H32ClN3O3/c1-16(2)15-22(28-24(30)20-5-7-21(26)8-6-20)19-10-13-29(14-11-19)25(31)32-23-17(3)9-12-27-18(23)4/h5-9,12,16,19,22H,10-11,13-15H2,1-4H3,(H,28,30)
InChIKeyYPZWXFUDMCDNND-UHFFFAOYSA-N
XLogP5.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.00
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372714
1,3-thiazol-2-ylmethyl 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372781
(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen
CID 142509334
(4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372796
(2,3-dimethylphenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372923
(2,3-dimethyl-4-pyridinyl) 4-[1-(4-chloro-N-formylanilino)-3-methylbutyl]piperidine-1-carboxylate
CID 137372972
tert-butyl 4-[(2S)-2-[(4-chlorobenzoyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylate
CID 137373052
1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60547171
4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448
4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60572049
4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 119647961
4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
CID 164622087

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
The IUPAC name of (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate (CID 137372752) is (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate.
What is the SMILES notation for (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
The canonical SMILES for (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate is Cc1ccnc(C)c1OC(=O)N1CCC(C(CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
The InChIKey is YPZWXFUDMCDNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-16(2)15-22(28-24(30)20-5-7-21(26)8-6-20)19-10-13-29(14-11-19)25(31)32-23-17(3)9-12-27-18(23)4/h5-9,12,16,19,22H,10-11,13-15H2,1-4H3,(H,28,30).
What are the key properties of (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate has a molecular weight of 458.00 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate is sourced from PubChem (CID 137372752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).