N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide

C21H27N3O3 — CID 46020351

IUPACN-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
SMILESO=C(NC(C(=O)NC1CC1)C1CCN(C(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O3/c25-19(15-4-2-1-3-5-15)23-18(20(26)22-17-8-9-17)14-10-12-24(13-11-14)21(27)16-6-7-16/h1-5,14,16-18H,6-13H2,(H,22,26)(H,23,25)
InChIKeyOLRFXAJGMRIDCR-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.71
Rot. Bonds6

About N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide

N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide (PubChem CID 46020351) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
PubChem CID46020351
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
SMILESO=C(NC(C(=O)NC1CC1)C1CCN(C(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O3/c25-19(15-4-2-1-3-5-15)23-18(20(26)22-17-8-9-17)14-10-12-24(13-11-14)21(27)16-6-7-16/h1-5,14,16-18H,6-13H2,(H,22,26)(H,23,25)
InChIKeyOLRFXAJGMRIDCR-UHFFFAOYSA-N
XLogP1.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 93199492
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 46020353
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199235
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020237
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199280
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42682685
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
N-[(1R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199318
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016045
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46540029
N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014640

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide (CID 46020351) is N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide is O=C(NC(C(=O)NC1CC1)C1CCN(C(=O)C2CC2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide?
The InChIKey is OLRFXAJGMRIDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-19(15-4-2-1-3-5-15)23-18(20(26)22-17-8-9-17)14-10-12-24(13-11-14)21(27)16-6-7-16/h1-5,14,16-18H,6-13H2,(H,22,26)(H,23,25).
What are the key properties of N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide?
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46020351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).