1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide

C27H43N3O2 — CID 42881485

IUPAC1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1
InChIInChI=1S/C27H43N3O2/c1-20(2)10-15-28-25(31)21-11-16-29(17-12-21)24-13-18-30(19-14-24)26(32)22-6-8-23(9-7-22)27(3,4)5/h6-9,20-21,24H,10-19H2,1-5H3,(H,28,31)
InChIKeyAXQBGIWPLQXVQN-UHFFFAOYSA-N
MW441.66 g/mol
LogP4.46
Rot. Bonds6

About 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide

1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 42881485) has the molecular formula C27H43N3O2 and a molecular weight of 441.66 g/mol. Its IUPAC name is 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID42881485
Molecular FormulaC27H43N3O2
Molecular Weight441.66 g/mol
Exact Mass441.34
IUPAC Name1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1
InChIInChI=1S/C27H43N3O2/c1-20(2)10-15-28-25(31)21-11-16-29(17-12-21)24-13-18-30(19-14-24)26(32)22-6-8-23(9-7-22)27(3,4)5/h6-9,20-21,24H,10-19H2,1-5H3,(H,28,31)
InChIKeyAXQBGIWPLQXVQN-UHFFFAOYSA-N
XLogP4.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide 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-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881491
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42693604
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881490
[1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881411
N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881072
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42694895
1-(4-tert-butylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003956
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 42881485) is 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is AXQBGIWPLQXVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O2/c1-20(2)10-15-28-25(31)21-11-16-29(17-12-21)24-13-18-30(19-14-24)26(32)22-6-8-23(9-7-22)27(3,4)5/h6-9,20-21,24H,10-19H2,1-5H3,(H,28,31).
What are the key properties of 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 441.66 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 42881485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).