N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide

C19H28N2O2 — CID 56793712

IUPACN-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NC(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C19H28N2O2/c1-2-23-17-10-12-21(13-11-17)19(22)20-18(16-8-9-16)14-15-6-4-3-5-7-15/h3-7,16-18H,2,8-14H2,1H3,(H,20,22)
InChIKeyLLEMPZUHHZZLON-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.22
Rot. Bonds6

About N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide

N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide (PubChem CID 56793712) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide
PubChem CID56793712
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NC(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C19H28N2O2/c1-2-23-17-10-12-21(13-11-17)19(22)20-18(16-8-9-16)14-15-6-4-3-5-7-15/h3-7,16-18H,2,8-14H2,1H3,(H,20,22)
InChIKeyLLEMPZUHHZZLON-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
CID 154807500
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56783177
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615955
(2R)-4-amino-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826479
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
4-ethoxy-N-[6-(2-phenylethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 126792921
ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 60547124

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide (CID 56793712) is N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide is CCOC1CCN(C(=O)NC(Cc2ccccc2)C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide?
The InChIKey is LLEMPZUHHZZLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-23-17-10-12-21(13-11-17)19(22)20-18(16-8-9-16)14-15-6-4-3-5-7-15/h3-7,16-18H,2,8-14H2,1H3,(H,20,22).
What are the key properties of N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide?
N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 56793712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).