methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate

C20H29N3O4 — CID 97284330

IUPACmethyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2C)C1
InChIInChI=1S/C20H29N3O4/c1-5-22(6-2)18(24)16-8-7-11-23(13-16)20(26)21-17-10-9-15(12-14(17)3)19(25)27-4/h9-10,12,16H,5-8,11,13H2,1-4H3,(H,21,26)/t16-/m1/s1
InChIKeyAEVOPUKKXZJYEP-MRXNPFEDSA-N
MW375.47 g/mol
LogP2.89
Rot. Bonds5

About methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate

methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate (PubChem CID 97284330) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate
PubChem CID97284330
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Namemethyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2C)C1
InChIInChI=1S/C20H29N3O4/c1-5-22(6-2)18(24)16-8-7-11-23(13-16)20(26)21-17-10-9-15(12-14(17)3)19(25)27-4/h9-10,12,16H,5-8,11,13H2,1-4H3,(H,21,26)/t16-/m1/s1
InChIKeyAEVOPUKKXZJYEP-MRXNPFEDSA-N
XLogP2.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
CID 23994751
methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
CID 95198757
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
1-[[2-(dimethylamino)-4-methoxycarbonylphenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122091288
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
methyl 4-[[(3S)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]-3-methylbenzoate
CID 125172606
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95397578
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203
1-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074107

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate (CID 97284330) is methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate is CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2C)C1.
What is the InChIKey of methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate?
The InChIKey is AEVOPUKKXZJYEP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-5-22(6-2)18(24)16-8-7-11-23(13-16)20(26)21-17-10-9-15(12-14(17)3)19(25)27-4/h9-10,12,16H,5-8,11,13H2,1-4H3,(H,21,26)/t16-/m1/s1.
What are the key properties of methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate?
methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate has a molecular weight of 375.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate is sourced from PubChem (CID 97284330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).