2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide

C20H28ClN3O3 — CID 26398170

IUPAC2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1)c1ccccc1Cl
InChIInChI=1S/C20H28ClN3O3/c21-18-8-2-1-7-17(18)20(26)22-14-16-6-5-10-23(15-16)19(25)9-12-24-11-3-4-13-27-24/h1-2,7-8,16H,3-6,9-15H2,(H,22,26)/t16-/m0/s1
InChIKeyFLMVDVSACHMMRU-INIZCTEOSA-N
MW393.92 g/mol
LogP2.73
Rot. Bonds6

About 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide

2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide (PubChem CID 26398170) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
PubChem CID26398170
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1)c1ccccc1Cl
InChIInChI=1S/C20H28ClN3O3/c21-18-8-2-1-7-17(18)20(26)22-14-16-6-5-10-23(15-16)19(25)9-12-24-11-3-4-13-27-24/h1-2,7-8,16H,3-6,9-15H2,(H,22,26)/t16-/m0/s1
InChIKeyFLMVDVSACHMMRU-INIZCTEOSA-N
XLogP2.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45182249
2-chloro-N-[[1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 45249030
2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 26402341
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26405742
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 26335077
2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765
3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 24790774
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42558040
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 42305900
1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 25377133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide (CID 26398170) is 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide is O=C(NC[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is FLMVDVSACHMMRU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c21-18-8-2-1-7-17(18)20(26)22-14-16-6-5-10-23(15-16)19(25)9-12-24-11-3-4-13-27-24/h1-2,7-8,16H,3-6,9-15H2,(H,22,26)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide?
2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 393.92 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 26398170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).