N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide

C16H31N3O2 — CID 110822549

IUPACN-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-12(2)10-14(20)18-13-6-8-19(9-7-13)15(21)17-11-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyYTMBNOYKFTYGAT-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.37
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide

N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide (PubChem CID 110822549) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide
PubChem CID110822549
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-12(2)10-14(20)18-13-6-8-19(9-7-13)15(21)17-11-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyYTMBNOYKFTYGAT-UHFFFAOYSA-N
XLogP2.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822570
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
CID 110810861
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide (CID 110822549) is N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide is CC(C)CC(=O)NC1CCN(C(=O)NCC(C)(C)C)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide?
The InChIKey is YTMBNOYKFTYGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(2)10-14(20)18-13-6-8-19(9-7-13)15(21)17-11-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,21)(H,18,20).
What are the key properties of N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide?
N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 110822549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).