(3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide

C10H16N2O2 — CID 148685624

IUPAC(3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@H](C(=O)NC)C1
InChIInChI=1S/C10H16N2O2/c1-3-9(13)12-6-4-5-8(7-12)10(14)11-2/h3,8H,1,4-7H2,2H3,(H,11,14)/t8-/m0/s1
InChIKeyNSMHXGJVRAWHHJ-QMMMGPOBSA-N
MW196.25 g/mol
LogP0.16
Rot. Bonds2

About (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide

(3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 148685624) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID148685624
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@H](C(=O)NC)C1
InChIInChI=1S/C10H16N2O2/c1-3-9(13)12-6-4-5-8(7-12)10(14)11-2/h3,8H,1,4-7H2,2H3,(H,11,14)/t8-/m0/s1
InChIKeyNSMHXGJVRAWHHJ-QMMMGPOBSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide (CID 148685624) is (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCC[C@H](C(=O)NC)C1.
What is the InChIKey of (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is NSMHXGJVRAWHHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-9(13)12-6-4-5-8(7-12)10(14)11-2/h3,8H,1,4-7H2,2H3,(H,11,14)/t8-/m0/s1.
What are the key properties of (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide?
(3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 148685624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).