4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide

C21H31N3O3 — CID 129368188

IUPAC4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C21H31N3O3/c25-21(24-12-10-23(11-13-24)15-17-8-9-17)22-19-6-1-2-7-20(19)27-16-18-5-3-4-14-26-18/h1-2,6-7,17-18H,3-5,8-16H2,(H,22,25)/t18-/m1/s1
InChIKeyUGCWTPLOPFNLRB-GOSISDBHSA-N
MW373.50 g/mol
LogP3.19
Rot. Bonds6

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

4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide (PubChem CID 129368188) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
PubChem CID129368188
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C21H31N3O3/c25-21(24-12-10-23(11-13-24)15-17-8-9-17)22-19-6-1-2-7-20(19)27-16-18-5-3-4-14-26-18/h1-2,6-7,17-18H,3-5,8-16H2,(H,22,25)/t18-/m1/s1
InChIKeyUGCWTPLOPFNLRB-GOSISDBHSA-N
XLogP3.19
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60577763
4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368185
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
4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 95352096
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide (CID 129368188) is 4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide?
The InChIKey is UGCWTPLOPFNLRB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-21(24-12-10-23(11-13-24)15-17-8-9-17)22-19-6-1-2-7-20(19)27-16-18-5-3-4-14-26-18/h1-2,6-7,17-18H,3-5,8-16H2,(H,22,25)/t18-/m1/s1.
What are the key properties of 4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide?
4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 129368188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).