N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide

C23H30N2O2 — CID 154875609

IUPACN-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@H]2CC=CC[C@H]2C)CC1
InChIInChI=1S/C23H30N2O2/c1-3-21(26)24-17-23(19-10-5-4-6-11-19)13-15-25(16-14-23)22(27)20-12-8-7-9-18(20)2/h3-8,10-11,18,20H,1,9,12-17H2,2H3,(H,24,26)/t18-,20-/m1/s1
InChIKeyQZPHQOMHKJPELS-UYAOXDASSA-N
MW366.51 g/mol
LogP3.45
Rot. Bonds5

About N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide

N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide (PubChem CID 154875609) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
PubChem CID154875609
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@H]2CC=CC[C@H]2C)CC1
InChIInChI=1S/C23H30N2O2/c1-3-21(26)24-17-23(19-10-5-4-6-11-19)13-15-25(16-14-23)22(27)20-12-8-7-9-18(20)2/h3-8,10-11,18,20H,1,9,12-17H2,2H3,(H,24,26)/t18-,20-/m1/s1
InChIKeyQZPHQOMHKJPELS-UYAOXDASSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide with MolForge

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Related Compounds

N-[[1-(1-ethyl-6-oxopiperidine-3-carbonyl)-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
CID 154875467
N-[[1-[2-[(4-fluorophenyl)methylamino]-2-oxoacetyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
CID 154875522
N-[[4-phenyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)piperidin-4-yl]methyl]prop-2-enamide
CID 166418852
N-[[4-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 166404584
N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide
CID 167887089
N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide
CID 154788121
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
3-phenyl-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]triazole-4-carboxamide
CID 167902241
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
N'-methyl-4-(oxolane-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111301756
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
4-(1-hydroxyethyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438064

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide (CID 154875609) is N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide is C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@H]2CC=CC[C@H]2C)CC1.
What is the InChIKey of N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide?
The InChIKey is QZPHQOMHKJPELS-UYAOXDASSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-21(26)24-17-23(19-10-5-4-6-11-19)13-15-25(16-14-23)22(27)20-12-8-7-9-18(20)2/h3-8,10-11,18,20H,1,9,12-17H2,2H3,(H,24,26)/t18-,20-/m1/s1.
What are the key properties of N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide?
N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide has a molecular weight of 366.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 154875609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).