4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide

C15H29N3O2 — CID 110822375

IUPAC4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-11(2)16-14(20)18-8-6-12(7-9-18)17-13(19)10-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,20)(H,17,19)
InChIKeyMUTNKUFFNYEWEH-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.12
Rot. Bonds3

About 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide

4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 110822375) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID110822375
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-11(2)16-14(20)18-8-6-12(7-9-18)17-13(19)10-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,20)(H,17,19)
InChIKeyMUTNKUFFNYEWEH-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
CID 170087380
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate
CID 110822365
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide
CID 110822549
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388
N-(1-hydroxypyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 135300785

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide (CID 110822375) is 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is MUTNKUFFNYEWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(2)16-14(20)18-8-6-12(7-9-18)17-13(19)10-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,20)(H,17,19).
What are the key properties of 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide?
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 110822375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).