N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide

C14H25N3O2 — CID 122156176

IUPACN-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)N2CCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)10-13(18)16-8-4-12(5-9-16)15-14(19)17-6-3-7-17/h11-12H,3-10H2,1-2H3,(H,15,19)
InChIKeyPECXMIYVBXPYKV-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.44
Rot. Bonds3

About N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide

N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide (PubChem CID 122156176) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
PubChem CID122156176
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)N2CCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)10-13(18)16-8-4-12(5-9-16)15-14(19)17-6-3-7-17/h11-12H,3-10H2,1-2H3,(H,15,19)
InChIKeyPECXMIYVBXPYKV-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119307388
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
N-cyclohexyl-4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 50977190
2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182817
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide?
The IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide (CID 122156176) is N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide?
The canonical SMILES for N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide is CC(C)CC(=O)N1CCC(NC(=O)N2CCC2)CC1.
What is the InChIKey of N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide?
The InChIKey is PECXMIYVBXPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)10-13(18)16-8-4-12(5-9-16)15-14(19)17-6-3-7-17/h11-12H,3-10H2,1-2H3,(H,15,19).
What are the key properties of N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide?
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide is sourced from PubChem (CID 122156176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).