(Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide

C13H24N2O — CID 96646542

IUPAC(Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC[C@H]1CCCNC1
InChIInChI=1S/C13H24N2O/c1-3-5-11(2)13(16)15-9-7-12-6-4-8-14-10-12/h5,12,14H,3-4,6-10H2,1-2H3,(H,15,16)/b11-5-/t12-/m1/s1
InChIKeyRWKFFCXJNJDUTR-DKRCXCIFSA-N
MW224.35 g/mol
LogP1.85
Rot. Bonds5

About (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide

(Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide (PubChem CID 96646542) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide
PubChem CID96646542
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC[C@H]1CCCNC1
InChIInChI=1S/C13H24N2O/c1-3-5-11(2)13(16)15-9-7-12-6-4-8-14-10-12/h5,12,14H,3-4,6-10H2,1-2H3,(H,15,16)/b11-5-/t12-/m1/s1
InChIKeyRWKFFCXJNJDUTR-DKRCXCIFSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide with MolForge

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Related Compounds

(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
CID 99978745
2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
CID 76923281
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
N-(2-piperidin-3-ylethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479536
(Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide
CID 106627593
(Z)-3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide
CID 143622632
2-butoxy-N-(2-piperidin-3-ylethyl)acetamide
CID 119556293
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
N-(2-piperidin-3-ylethyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119556041

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide?
The IUPAC name of (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide (CID 96646542) is (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide is CC/C=C(/C)C(=O)NCC[C@H]1CCCNC1.
What is the InChIKey of (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide?
The InChIKey is RWKFFCXJNJDUTR-DKRCXCIFSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-11(2)13(16)15-9-7-12-6-4-8-14-10-12/h5,12,14H,3-4,6-10H2,1-2H3,(H,15,16)/b11-5-/t12-/m1/s1.
What are the key properties of (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide?
(Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide has a molecular weight of 224.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide is sourced from PubChem (CID 96646542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).