(Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide

C20H29N3O2 — CID 9472917

IUPAC(Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NCCCN1CCCC[C@H]1C
InChIInChI=1S/C20H29N3O2/c1-16-9-6-7-13-23(16)14-8-12-21-20(25)19(22-17(2)24)15-18-10-4-3-5-11-18/h3-5,10-11,15-16H,6-9,12-14H2,1-2H3,(H,21,25)(H,22,24)/b19-15-/t16-/m1/s1
InChIKeyPTTZBCABQDMMKG-URTGMZOISA-N
MW343.47 g/mol
LogP2.54
Rot. Bonds7

About (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide

(Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide (PubChem CID 9472917) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide
PubChem CID9472917
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NCCCN1CCCC[C@H]1C
InChIInChI=1S/C20H29N3O2/c1-16-9-6-7-13-23(16)14-8-12-21-20(25)19(22-17(2)24)15-18-10-4-3-5-11-18/h3-5,10-11,15-16H,6-9,12-14H2,1-2H3,(H,21,25)(H,22,24)/b19-15-/t16-/m1/s1
InChIKeyPTTZBCABQDMMKG-URTGMZOISA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide
CID 10070099
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 2610042
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 111334587
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
1-[2-(benzenesulfonyl)ethyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370121
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 55723617
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
CID 16800787
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide (CID 9472917) is (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide is CC(=O)N/C(=C\c1ccccc1)C(=O)NCCCN1CCCC[C@H]1C.
What is the InChIKey of (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide?
The InChIKey is PTTZBCABQDMMKG-URTGMZOISA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-9-6-7-13-23(16)14-8-12-21-20(25)19(22-17(2)24)15-18-10-4-3-5-11-18/h3-5,10-11,15-16H,6-9,12-14H2,1-2H3,(H,21,25)(H,22,24)/b19-15-/t16-/m1/s1.
What are the key properties of (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide?
(Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide has a molecular weight of 343.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9472917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).