1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide

C21H30N4O4 — CID 94161698

IUPAC1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C21H30N4O4/c1-24(2)21(28)25-11-9-15(10-12-25)19(26)23-18-8-4-3-7-17(18)20(27)22-14-16-6-5-13-29-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,22,27)(H,23,26)/t16-/m1/s1
InChIKeyOGPRMUASBHWPJY-MRXNPFEDSA-N
MW402.50 g/mol
LogP1.93
Rot. Bonds5

About 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide (PubChem CID 94161698) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide
PubChem CID94161698
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C21H30N4O4/c1-24(2)21(28)25-11-9-15(10-12-25)19(26)23-18-8-4-3-7-17(18)20(27)22-14-16-6-5-13-29-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,22,27)(H,23,26)/t16-/m1/s1
InChIKeyOGPRMUASBHWPJY-MRXNPFEDSA-N
XLogP1.93
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27260860
(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 125043020
1-(benzenesulfonyl)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 133167045
1-[(3-bromophenyl)methyl]-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43925624
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
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 9350768
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide (CID 94161698) is 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is OGPRMUASBHWPJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-24(2)21(28)25-11-9-15(10-12-25)19(26)23-18-8-4-3-7-17(18)20(27)22-14-16-6-5-13-29-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,22,27)(H,23,26)/t16-/m1/s1.
What are the key properties of 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 402.50 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 94161698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).