N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C23H27N3O4S — CID 27260860

IUPACN-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H27N3O4S/c27-21(16-9-11-26(12-10-16)23(29)20-8-4-14-31-20)25-19-7-2-1-6-18(19)22(28)24-15-17-5-3-13-30-17/h1-2,4,6-8,14,16-17H,3,5,9-13,15H2,(H,24,28)(H,25,27)/t17-/m1/s1
InChIKeyBRICEOXIBAARQQ-QGZVFWFLSA-N
MW441.55 g/mol
LogP3.15
Rot. Bonds6

About N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 27260860) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID27260860
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H27N3O4S/c27-21(16-9-11-26(12-10-16)23(29)20-8-4-14-31-20)25-19-7-2-1-6-18(19)22(28)24-15-17-5-3-13-30-17/h1-2,4,6-8,14,16-17H,3,5,9-13,15H2,(H,24,28)(H,25,27)/t17-/m1/s1
InChIKeyBRICEOXIBAARQQ-QGZVFWFLSA-N
XLogP3.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide
CID 41143724
1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide
CID 94161698
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
N-[2-(tert-butylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224213
1-(benzenesulfonyl)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 133167045
(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 125043020
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
1-(2-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 17019005
1-[(3-bromophenyl)methyl]-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43925624
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
1-(3,4-dimethylphenyl)sulfonyl-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-4-carboxamide
CID 26008321
1-(4-methoxyphenyl)sulfonyl-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-4-carboxamide
CID 100656018

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 27260860) is N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is BRICEOXIBAARQQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3O4S/c27-21(16-9-11-26(12-10-16)23(29)20-8-4-14-31-20)25-19-7-2-1-6-18(19)22(28)24-15-17-5-3-13-30-17/h1-2,4,6-8,14,16-17H,3,5,9-13,15H2,(H,24,28)(H,25,27)/t17-/m1/s1.
What are the key properties of N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 27260860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).