N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide

C14H23N3O2 — CID 167892342

IUPACN-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)N(C)[C@@H]2CCCN(C)C2)C1
InChIInChI=1S/C14H23N3O2/c1-4-13(18)17-8-11(9-17)14(19)16(3)12-6-5-7-15(2)10-12/h4,11-12H,1,5-10H2,2-3H3/t12-/m1/s1
InChIKeyXNWHVTZNQKAODD-GFCCVEGCSA-N
MW265.36 g/mol
LogP0.18
Rot. Bonds3

About N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide

N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide (PubChem CID 167892342) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide
PubChem CID167892342
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)N(C)[C@@H]2CCCN(C)C2)C1
InChIInChI=1S/C14H23N3O2/c1-4-13(18)17-8-11(9-17)14(19)16(3)12-6-5-7-15(2)10-12/h4,11-12H,1,5-10H2,2-3H3/t12-/m1/s1
InChIKeyXNWHVTZNQKAODD-GFCCVEGCSA-N
XLogP0.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
N-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 62546250
(3S)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459471
(3R)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459454
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032128
(2R)-N-methyl-N-(1-methylpiperidin-3-yl)piperidine-2-carboxamide
CID 104913856
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
2-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 64824632
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
CID 79005735

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide (CID 167892342) is N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide is C=CC(=O)N1CC(C(=O)N(C)[C@@H]2CCCN(C)C2)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide?
The InChIKey is XNWHVTZNQKAODD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-13(18)17-8-11(9-17)14(19)16(3)12-6-5-7-15(2)10-12/h4,11-12H,1,5-10H2,2-3H3/t12-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide?
N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide is sourced from PubChem (CID 167892342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).