N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide

C19H26Cl2N2O2 — CID 60622118

IUPACN-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H26Cl2N2O2/c1-4-6-17(24)22-14-7-5-10-23(12-14)18(25)19(2,3)13-8-9-15(20)16(21)11-13/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,22,24)
InChIKeyUVQVJWUIVSHYGS-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.18
Rot. Bonds5

About N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide

N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide (PubChem CID 60622118) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide
PubChem CID60622118
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC NameN-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H26Cl2N2O2/c1-4-6-17(24)22-14-7-5-10-23(12-14)18(25)19(2,3)13-8-9-15(20)16(21)11-13/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,22,24)
InChIKeyUVQVJWUIVSHYGS-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide 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

2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488068
N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681
(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 95309440
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761692
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
2-(3,4-dichlorophenyl)-2-methyl-1-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)propan-1-one
CID 166179620
N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
CID 60621042
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
CID 52851447
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide?
The IUPAC name of N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide (CID 60622118) is N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide?
The InChIKey is UVQVJWUIVSHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O2/c1-4-6-17(24)22-14-7-5-10-23(12-14)18(25)19(2,3)13-8-9-15(20)16(21)11-13/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide?
N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide has a molecular weight of 385.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide is sourced from PubChem (CID 60622118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).