(2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide

C19H24ClN5O3 — CID 124949483

IUPAC(2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide
SMILESCc1nonc1CC(=O)N1CCN(C)[C@H](C(=O)N(C)Cc2ccccc2Cl)C1
InChIInChI=1S/C19H24ClN5O3/c1-13-16(22-28-21-13)10-18(26)25-9-8-23(2)17(12-25)19(27)24(3)11-14-6-4-5-7-15(14)20/h4-7,17H,8-12H2,1-3H3/t17-/m0/s1
InChIKeyCULABTIVQSDXSA-KRWDZBQOSA-N
MW405.89 g/mol
LogP1.38
Rot. Bonds5

About (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide

(2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide (PubChem CID 124949483) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide
PubChem CID124949483
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC Name(2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide
SMILESCc1nonc1CC(=O)N1CCN(C)[C@H](C(=O)N(C)Cc2ccccc2Cl)C1
InChIInChI=1S/C19H24ClN5O3/c1-13-16(22-28-21-13)10-18(26)25-9-8-23(2)17(12-25)19(27)24(3)11-14-6-4-5-7-15(14)20/h4-7,17H,8-12H2,1-3H3/t17-/m0/s1
InChIKeyCULABTIVQSDXSA-KRWDZBQOSA-N
XLogP1.38
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
CID 125014139
N,1-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-(3-pyrrolidin-1-ylbenzoyl)piperazine-2-carboxamide
CID 110085831
(2R)-N,1-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-(3-pyrrolidin-1-ylbenzoyl)piperazine-2-carboxamide
CID 124997001
1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 95814306
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 155502029
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615
4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazine-2-carboxamide
CID 110085668
(3R,4S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166299598
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one
CID 28922251
(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128975447
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(2-oxa-6-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-6-yl)ethanone
CID 155994973

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide (CID 124949483) is (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide is Cc1nonc1CC(=O)N1CCN(C)[C@H](C(=O)N(C)Cc2ccccc2Cl)C1.
What is the InChIKey of (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide?
The InChIKey is CULABTIVQSDXSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24ClN5O3/c1-13-16(22-28-21-13)10-18(26)25-9-8-23(2)17(12-25)19(27)24(3)11-14-6-4-5-7-15(14)20/h4-7,17H,8-12H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide?
(2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 124949483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).