4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide

C20H30ClN3O2 — CID 119554960

IUPAC4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCCC1CCCNC1
InChIInChI=1S/C20H30ClN3O2/c1-3-14(2)18(24-19(25)16-6-8-17(21)9-7-16)20(26)23-12-10-15-5-4-11-22-13-15/h6-9,14-15,18,22H,3-5,10-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHJXLLTNSCBRRCO-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.99
Rot. Bonds8

About 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide (PubChem CID 119554960) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
PubChem CID119554960
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCCC1CCCNC1
InChIInChI=1S/C20H30ClN3O2/c1-3-14(2)18(24-19(25)16-6-8-17(21)9-7-16)20(26)23-12-10-15-5-4-11-22-13-15/h6-9,14-15,18,22H,3-5,10-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHJXLLTNSCBRRCO-UHFFFAOYSA-N
XLogP2.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide
CID 119449447
4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride
CID 119464126
4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119534796
4-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119504568
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
CID 119558164
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
2-[(4-chlorophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide
CID 119557382
2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 119171288
4-chloro-N-[3-methyl-1-oxo-1-(piperidin-3-ylamino)butan-2-yl]benzamide
CID 119428842
4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide (CID 119554960) is 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCCC1CCCNC1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide?
The InChIKey is HJXLLTNSCBRRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-3-14(2)18(24-19(25)16-6-8-17(21)9-7-16)20(26)23-12-10-15-5-4-11-22-13-15/h6-9,14-15,18,22H,3-5,10-13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide has a molecular weight of 379.93 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 119554960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).