N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

C25H39N3O — CID 45220804

IUPACN-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)C1CC1
InChIInChI=1S/C25H39N3O/c1-20(22-9-10-22)26-25(29)23-11-18-28(19-12-23)24-13-16-27(17-14-24)15-5-8-21-6-3-2-4-7-21/h2-4,6-7,20,22-24H,5,8-19H2,1H3,(H,26,29)
InChIKeyUHYZRWDLDAJZMO-UHFFFAOYSA-N
MW397.61 g/mol
LogP3.71
Rot. Bonds8

About N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 45220804) has the molecular formula C25H39N3O and a molecular weight of 397.61 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID45220804
Molecular FormulaC25H39N3O
Molecular Weight397.61 g/mol
Exact Mass397.31
IUPAC NameN-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)C1CC1
InChIInChI=1S/C25H39N3O/c1-20(22-9-10-22)26-25(29)23-11-18-28(19-12-23)24-13-16-27(17-14-24)15-5-8-21-6-3-2-4-7-21/h2-4,6-7,20,22-24H,5,8-19H2,1H3,(H,26,29)
InChIKeyUHYZRWDLDAJZMO-UHFFFAOYSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.61
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 96582167
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479408
(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
CID 154896164
benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
CID 94177956
N-cyclopropyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45232924
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide (CID 45220804) is N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is UHYZRWDLDAJZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O/c1-20(22-9-10-22)26-25(29)23-11-18-28(19-12-23)24-13-16-27(17-14-24)15-5-8-21-6-3-2-4-7-21/h2-4,6-7,20,22-24H,5,8-19H2,1H3,(H,26,29).
What are the key properties of N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 397.61 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 45220804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).