N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide

C25H34N2O2 — CID 154788121

IUPACN-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide
SMILESC#CCCCC(=O)NCC1(c2ccccc2)CCN(C(=O)C2CC(C)(C)C2)CC1
InChIInChI=1S/C25H34N2O2/c1-4-5-7-12-22(28)26-19-25(21-10-8-6-9-11-21)13-15-27(16-14-25)23(29)20-17-24(2,3)18-20/h1,6,8-11,20H,5,7,12-19H2,2-3H3,(H,26,28)
InChIKeyRSTUYYIEFGAPTO-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.90
Rot. Bonds7

About N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide

N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide (PubChem CID 154788121) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide.

Molecular Properties

Compound NameN-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide
PubChem CID154788121
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide
SMILESC#CCCCC(=O)NCC1(c2ccccc2)CCN(C(=O)C2CC(C)(C)C2)CC1
InChIInChI=1S/C25H34N2O2/c1-4-5-7-12-22(28)26-19-25(21-10-8-6-9-11-21)13-15-27(16-14-25)23(29)20-17-24(2,3)18-20/h1,6,8-11,20H,5,7,12-19H2,2-3H3,(H,26,28)
InChIKeyRSTUYYIEFGAPTO-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
N-[[1-(1-ethyl-6-oxopiperidine-3-carbonyl)-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
CID 154875467
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
CID 154875609
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
(2S)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346949
(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346946
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
CID 18128280
N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide
CID 167887089
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide?
The IUPAC name of N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide (CID 154788121) is N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide.
What is the SMILES notation for N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide?
The canonical SMILES for N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide is C#CCCCC(=O)NCC1(c2ccccc2)CCN(C(=O)C2CC(C)(C)C2)CC1.
What is the InChIKey of N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide?
The InChIKey is RSTUYYIEFGAPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-4-5-7-12-22(28)26-19-25(21-10-8-6-9-11-21)13-15-27(16-14-25)23(29)20-17-24(2,3)18-20/h1,6,8-11,20H,5,7,12-19H2,2-3H3,(H,26,28).
What are the key properties of N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide?
N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide has a molecular weight of 394.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethylcyclobutanecarbonyl)-4-phenylpiperidin-4-yl]methyl]hex-5-ynamide is sourced from PubChem (CID 154788121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).