N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide

C18H27N3O3 — CID 95311462

IUPACN-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-23-14-15-4-2-5-16(12-15)19-18(22)21-9-7-20(8-10-21)13-17-6-3-11-24-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyKLHWAQMWNMORIT-QGZVFWFLSA-N
MW333.43 g/mol
LogP2.16
Rot. Bonds5

About N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide

N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 95311462) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
PubChem CID95311462
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-23-14-15-4-2-5-16(12-15)19-18(22)21-9-7-20(8-10-21)13-17-6-3-11-24-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyKLHWAQMWNMORIT-QGZVFWFLSA-N
XLogP2.16
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
CID 34684605
4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 56826993
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457
N-[3-(difluoromethoxy)phenyl]-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336923
N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336889
1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea
CID 55678475
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide (CID 95311462) is N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide is COCc1cccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is KLHWAQMWNMORIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-14-15-4-2-5-16(12-15)19-18(22)21-9-7-20(8-10-21)13-17-6-3-11-24-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 95311462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).