(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide

C18H25N3O3 — CID 94149541

IUPAC(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN1CCC(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1
InChIInChI=1S/C18H25N3O3/c1-21-9-7-14(8-10-21)19-17(22)13-4-2-5-15(12-13)20-18(23)16-6-3-11-24-16/h2,4-5,12,14,16H,3,6-11H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyPBOZZVPKRSRUST-MRXNPFEDSA-N
MW331.42 g/mol
LogP1.63
Rot. Bonds4

About (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 94149541) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID94149541
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN1CCC(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1
InChIInChI=1S/C18H25N3O3/c1-21-9-7-14(8-10-21)19-17(22)13-4-2-5-15(12-13)20-18(23)16-6-3-11-24-16/h2,4-5,12,14,16H,3,6-11H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyPBOZZVPKRSRUST-MRXNPFEDSA-N
XLogP1.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119478775
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 141209517
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
(2R)-N-[3-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 93252443

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 94149541) is (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide is CN1CCC(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1.
What is the InChIKey of (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is PBOZZVPKRSRUST-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-21-9-7-14(8-10-21)19-17(22)13-4-2-5-15(12-13)20-18(23)16-6-3-11-24-16/h2,4-5,12,14,16H,3,6-11H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 94149541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).