(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide

C27H33N3O2 — CID 42682841

IUPAC(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C27H33N3O2/c1-21-13-17-30(18-14-21)27(32)24-9-5-6-10-25(24)29-19-15-23(16-20-29)28-26(31)12-11-22-7-3-2-4-8-22/h2-12,21,23H,13-20H2,1H3,(H,28,31)/b12-11+
InChIKeyKBHNOTGKKQNFTM-VAWYXSNFSA-N
MW431.58 g/mol
LogP4.36
Rot. Bonds5

About (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide

(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide (PubChem CID 42682841) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
PubChem CID42682841
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C27H33N3O2/c1-21-13-17-30(18-14-21)27(32)24-9-5-6-10-25(24)29-19-15-23(16-20-29)28-26(31)12-11-22-7-3-2-4-8-22/h2-12,21,23H,13-20H2,1H3,(H,28,31)/b12-11+
InChIKeyKBHNOTGKKQNFTM-VAWYXSNFSA-N
XLogP4.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 75140869
4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038111
N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140863
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140862
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140857
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
(E)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55700165
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide (CID 42682841) is (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide is CC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1.
What is the InChIKey of (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The InChIKey is KBHNOTGKKQNFTM-VAWYXSNFSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-21-13-17-30(18-14-21)27(32)24-9-5-6-10-25(24)29-19-15-23(16-20-29)28-26(31)12-11-22-7-3-2-4-8-22/h2-12,21,23H,13-20H2,1H3,(H,28,31)/b12-11+.
What are the key properties of (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide?
(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide has a molecular weight of 431.58 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 42682841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).