(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide

C15H27N3O2 — CID 96532461

IUPAC(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H27N3O2/c1-5-8-16-14(20)18-9-6-7-12(11-18)10-17-13(19)15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyNAZGASZLSCZSQC-LBPRGKRZSA-N
MW281.40 g/mol
LogP1.76
Rot. Bonds4

About (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide

(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide (PubChem CID 96532461) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide
PubChem CID96532461
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H27N3O2/c1-5-8-16-14(20)18-9-6-7-12(11-18)10-17-13(19)15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyNAZGASZLSCZSQC-LBPRGKRZSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 97074173
6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119184579
3-methylsulfonyl-N-prop-2-enylpyrrolidine-1-carboxamide
CID 90584740
N-[[1-(1,4-dioxane-2-carbonyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 102557033
5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821755
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503
2,2-dimethyl-N-[[(3R)-1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]methyl]propanamide
CID 95334060

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide (CID 96532461) is (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide is C=CCNC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1.
What is the InChIKey of (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide?
The InChIKey is NAZGASZLSCZSQC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-8-16-14(20)18-9-6-7-12(11-18)10-17-13(19)15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,16,20)(H,17,19)/t12-/m0/s1.
What are the key properties of (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide?
(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide is sourced from PubChem (CID 96532461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).