4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide

C25H30N2O3 — CID 42508142

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C25H30N2O3/c1-18(19-5-3-2-4-6-19)17-26-24(28)20-9-11-22(12-10-20)30-23-13-15-27(16-14-23)25(29)21-7-8-21/h2-6,9-12,18,21,23H,7-8,13-17H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyKBLVKOWZSKRGLE-SFHVURJKSA-N
MW406.53 g/mol
LogP4.00
Rot. Bonds7

About 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide (PubChem CID 42508142) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
PubChem CID42508142
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C25H30N2O3/c1-18(19-5-3-2-4-6-19)17-26-24(28)20-9-11-22(12-10-20)30-23-13-15-27(16-14-23)25(29)21-7-8-21/h2-6,9-12,18,21,23H,7-8,13-17H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyKBLVKOWZSKRGLE-SFHVURJKSA-N
XLogP4.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
CID 119068329
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide
CID 45216516
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide
CID 42305765
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 72844969
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 72887706
N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 72903010
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide (CID 42508142) is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide is C[C@@H](CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccccc1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide?
The InChIKey is KBLVKOWZSKRGLE-SFHVURJKSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18(19-5-3-2-4-6-19)17-26-24(28)20-9-11-22(12-10-20)30-23-13-15-27(16-14-23)25(29)21-7-8-21/h2-6,9-12,18,21,23H,7-8,13-17H2,1H3,(H,26,28)/t18-/m0/s1.
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide?
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide is sourced from PubChem (CID 42508142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).