N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

C18H26ClN3O3 — CID 59823421

IUPACN-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](CC2CCNCC2)C(N)=O)cc1Cl
InChIInChI=1S/C18H26ClN3O3/c1-11(2)25-16-4-3-13(10-14(16)19)18(24)22-15(17(20)23)9-12-5-7-21-8-6-12/h3-4,10-12,15,21H,5-9H2,1-2H3,(H2,20,23)(H,22,24)/t15-/m0/s1
InChIKeyNSNOXMPFPMVZHN-HNNXBMFYSA-N
MW367.88 g/mol
LogP2.10
Rot. Bonds7

About N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (PubChem CID 59823421) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
PubChem CID59823421
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](CC2CCNCC2)C(N)=O)cc1Cl
InChIInChI=1S/C18H26ClN3O3/c1-11(2)25-16-4-3-13(10-14(16)19)18(24)22-15(17(20)23)9-12-5-7-21-8-6-12/h3-4,10-12,15,21H,5-9H2,1-2H3,(H2,20,23)(H,22,24)/t15-/m0/s1
InChIKeyNSNOXMPFPMVZHN-HNNXBMFYSA-N
XLogP2.10
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide with MolForge

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Related Compounds

N-[3-(4-aminocyclohexyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-[(4-fluorobenzoyl)amino]cyclohexyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;4-fluorobenzoyl chloride
CID 160721706
N-[1-amino-1-oxo-3-[4-(2-oxo-1-phenylpyrrolidin-3-yl)oxyphenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 11635184
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
CID 11611586
CID 71194269
CID 71194269
3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
CID 110762419
3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide
CID 143134875
3,4-dichloro-5-methyl-N-[4-(piperidin-4-ylmethylcarbamoyl)-2-propan-2-yloxyphenyl]-1H-pyrrole-2-carboxamide
CID 169426006
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
3-chloro-N-[(2S)-1-(4-ethylphenyl)-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 173146094

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (CID 59823421) is N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N[C@@H](CC2CCNCC2)C(N)=O)cc1Cl.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The InChIKey is NSNOXMPFPMVZHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-11(2)25-16-4-3-13(10-14(16)19)18(24)22-15(17(20)23)9-12-5-7-21-8-6-12/h3-4,10-12,15,21H,5-9H2,1-2H3,(H2,20,23)(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide has a molecular weight of 367.88 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-piperidin-4-ylpropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 59823421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).