4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide

C21H33N3O3 — CID 129368185

IUPAC4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1
InChIInChI=1S/C21H33N3O3/c1-17(2)15-23-10-12-24(13-11-23)21(25)22-19-8-3-4-9-20(19)27-16-18-7-5-6-14-26-18/h3-4,8-9,17-18H,5-7,10-16H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyXGBYKEWXRDHTRH-SFHVURJKSA-N
MW375.51 g/mol
LogP3.44
Rot. Bonds6

About 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide

4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide (PubChem CID 129368185) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
PubChem CID129368185
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1
InChIInChI=1S/C21H33N3O3/c1-17(2)15-23-10-12-24(13-11-23)21(25)22-19-8-3-4-9-20(19)27-16-18-7-5-6-14-26-18/h3-4,8-9,17-18H,5-7,10-16H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyXGBYKEWXRDHTRH-SFHVURJKSA-N
XLogP3.44
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368188
4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60577763
1-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 125163740
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 46536372
2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide
CID 46968957
(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide
CID 51587539
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide (CID 129368185) is 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide is CC(C)CN1CCN(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1.
What is the InChIKey of 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide?
The InChIKey is XGBYKEWXRDHTRH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-17(2)15-23-10-12-24(13-11-23)21(25)22-19-8-3-4-9-20(19)27-16-18-7-5-6-14-26-18/h3-4,8-9,17-18H,5-7,10-16H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide?
4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 129368185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).