cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone

C18H26N2O — CID 43434778

IUPACcyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
SMILESCC(CNC1CCN(C(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14(15-5-3-2-4-6-15)13-19-17-9-11-20(12-10-17)18(21)16-7-8-16/h2-6,14,16-17,19H,7-13H2,1H3
InChIKeyOIQZBKOZSRWBCM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.78
Rot. Bonds5

About cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone

cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone (PubChem CID 43434778) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
PubChem CID43434778
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Namecyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
SMILESCC(CNC1CCN(C(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14(15-5-3-2-4-6-15)13-19-17-9-11-20(12-10-17)18(21)16-7-8-16/h2-6,14,16-17,19H,7-13H2,1H3
InChIKeyOIQZBKOZSRWBCM-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
CID 119068329
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119278567
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone (CID 43434778) is cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone is CC(CNC1CCN(C(=O)C2CC2)CC1)c1ccccc1.
What is the InChIKey of cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone?
The InChIKey is OIQZBKOZSRWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(15-5-3-2-4-6-15)13-19-17-9-11-20(12-10-17)18(21)16-7-8-16/h2-6,14,16-17,19H,7-13H2,1H3.
What are the key properties of cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone?
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 43434778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).