3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide

C24H37N3O2 — CID 46038069

IUPAC3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide
SMILESCC1CCCCN1C(=O)c1ccccc1N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C24H37N3O2/c1-18-9-7-8-14-27(18)23(29)20-10-5-6-11-21(20)26-15-12-19(13-16-26)25-22(28)17-24(2,3)4/h5-6,10-11,18-19H,7-9,12-17H2,1-4H3,(H,25,28)
InChIKeyTXNWINQWKWZQMH-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.22
Rot. Bonds4

About 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide

3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide (PubChem CID 46038069) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide
PubChem CID46038069
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide
SMILESCC1CCCCN1C(=O)c1ccccc1N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C24H37N3O2/c1-18-9-7-8-14-27(18)23(29)20-10-5-6-11-21(20)26-15-12-19(13-16-26)25-22(28)17-24(2,3)4/h5-6,10-11,18-19H,7-9,12-17H2,1-4H3,(H,25,28)
InChIKeyTXNWINQWKWZQMH-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 93291094
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
CID 93291101
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46037577
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848187
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide
CID 42848271

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide (CID 46038069) is 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide is CC1CCCCN1C(=O)c1ccccc1N1CCC(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide?
The InChIKey is TXNWINQWKWZQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18-9-7-8-14-27(18)23(29)20-10-5-6-11-21(20)26-15-12-19(13-16-26)25-22(28)17-24(2,3)4/h5-6,10-11,18-19H,7-9,12-17H2,1-4H3,(H,25,28).
What are the key properties of 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide?
3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide has a molecular weight of 399.58 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-[2-(2-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 46038069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).