N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

C19H30N2O2 — CID 111438235

IUPACN-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NC(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C19H30N2O2/c1-14(22)15-10-12-21(13-11-15)18(23)20-17(19(2,3)4)16-8-6-5-7-9-16/h5-9,14-15,17,22H,10-13H2,1-4H3,(H,20,23)
InChIKeySZVXCQSRJNUYDQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.58
Rot. Bonds3

About N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111438235) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111438235
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NC(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C19H30N2O2/c1-14(22)15-10-12-21(13-11-15)18(23)20-17(19(2,3)4)16-8-6-5-7-9-16/h5-9,14-15,17,22H,10-13H2,1-4H3,(H,20,23)
InChIKeySZVXCQSRJNUYDQ-UHFFFAOYSA-N
XLogP3.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
4-(1-hydroxyethyl)-N-(2-methyl-2-phenylpropyl)piperidine-1-carboxamide
CID 111438231
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 106836851
4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide
CID 111482912
1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122005301
(3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 98891805
1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone
CID 43783246
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110023282
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000277

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111438235) is N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)NC(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is SZVXCQSRJNUYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(22)15-10-12-21(13-11-15)18(23)20-17(19(2,3)4)16-8-6-5-7-9-16/h5-9,14-15,17,22H,10-13H2,1-4H3,(H,20,23).
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).