N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide

C9H16N2O — CID 178118916

IUPACN-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N(C)[C@H]1CCCNC1
InChIInChI=1S/C9H16N2O/c1-3-9(12)11(2)8-5-4-6-10-7-8/h3,8,10H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyVXNPWZFEQQDRCN-QMMMGPOBSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds2

About N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide

N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide (PubChem CID 178118916) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
PubChem CID178118916
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N(C)[C@H]1CCCNC1
InChIInChI=1S/C9H16N2O/c1-3-9(12)11(2)8-5-4-6-10-7-8/h3,8,10H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyVXNPWZFEQQDRCN-QMMMGPOBSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
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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Related Compounds

N-methyl-N-piperidin-3-ylprop-2-enamide
CID 63643523
N-methyl-N-piperidin-3-ylhexa-2,4-dienamide
CID 77003180
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
N-methyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63642298
N-methyl-N-pyrrolidin-3-ylbut-3-enamide
CID 63298197
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
N-methyl-3-methylsulfonyl-N-piperidin-3-ylpropanamide
CID 63642468
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516
3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide
CID 77003154
N,2-dimethyl-N-piperidin-3-ylpentanamide
CID 60806895
N-methyl-N-piperidin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 60807056
3-methoxy-N,3-dimethyl-N-piperidin-3-ylbutanamide
CID 103019546

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide?
The IUPAC name of N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide (CID 178118916) is N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide is C=CC(=O)N(C)[C@H]1CCCNC1.
What is the InChIKey of N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide?
The InChIKey is VXNPWZFEQQDRCN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9(12)11(2)8-5-4-6-10-7-8/h3,8,10H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide?
N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 178118916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).