N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide

C23H35N3O2 — CID 119717975

IUPACN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CC(C)C2CCNCC2)C1
InChIInChI=1S/C23H35N3O2/c1-16-12-17(2)15-26(14-16)23(28)20-6-4-5-7-21(20)25-22(27)13-18(3)19-8-10-24-11-9-19/h4-7,16-19,24H,8-15H2,1-3H3,(H,25,27)
InChIKeyNGXYPVCDXICVAK-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119717975) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119717975
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CC(C)C2CCNCC2)C1
InChIInChI=1S/C23H35N3O2/c1-16-12-17(2)15-26(14-16)23(28)20-6-4-5-7-21(20)25-22(27)13-18(3)19-8-10-24-11-9-19/h4-7,16-19,24H,8-15H2,1-3H3,(H,25,27)
InChIKeyNGXYPVCDXICVAK-UHFFFAOYSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide 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

3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide
CID 119684683
3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55677286
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119687144
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752264

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide (CID 119717975) is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)CC(C)C2CCNCC2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is NGXYPVCDXICVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-16-12-17(2)15-26(14-16)23(28)20-6-4-5-7-21(20)25-22(27)13-18(3)19-8-10-24-11-9-19/h4-7,16-19,24H,8-15H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide?
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 385.55 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119717975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).