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

C12H22N2O — CID 99978745

IUPAC(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)NC[C@@H]1CCCNC1
InChIInChI=1S/C12H22N2O/c1-3-5-10(2)12(15)14-9-11-6-4-7-13-8-11/h5,11,13H,3-4,6-9H2,1-2H3,(H,14,15)/b10-5+/t11-/m1/s1
InChIKeyNFKVRSYKBWFTIP-IGLBNKAOSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds4

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

(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide (PubChem CID 99978745) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
PubChem CID99978745
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)NC[C@@H]1CCCNC1
InChIInChI=1S/C12H22N2O/c1-3-5-10(2)12(15)14-9-11-6-4-7-13-8-11/h5,11,13H,3-4,6-9H2,1-2H3,(H,14,15)/b10-5+/t11-/m1/s1
InChIKeyNFKVRSYKBWFTIP-IGLBNKAOSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide
CID 96646542
(Z)-3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide
CID 143622632
2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
CID 76923281
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride
CID 86779934
methyl (Z)-3-(piperidin-3-ylmethylamino)but-2-enoate
CID 67572373
(Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide
CID 106627593
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
2-methoxy-N-(piperidin-3-ylmethyl)butanamide
CID 119461438
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide?
The IUPAC name of (E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide (CID 99978745) is (E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide is CC/C=C(\C)C(=O)NC[C@@H]1CCCNC1.
What is the InChIKey of (E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide?
The InChIKey is NFKVRSYKBWFTIP-IGLBNKAOSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-10(2)12(15)14-9-11-6-4-7-13-8-11/h5,11,13H,3-4,6-9H2,1-2H3,(H,14,15)/b10-5+/t11-/m1/s1.
What are the key properties of (E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide?
(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide is sourced from PubChem (CID 99978745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).