1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C19H28N4O4 — CID 37178321

IUPAC1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C19H28N4O4/c1-4-20-19(26)22-17(24)13(2)23-11-9-14(10-12-23)18(25)21-15-7-5-6-8-16(15)27-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,25)(H2,20,22,24,26)/t13-/m0/s1
InChIKeyJRTGQARRWMQTLK-ZDUSSCGKSA-N
MW376.46 g/mol
LogP1.58
Rot. Bonds6

About 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 37178321) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID37178321
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C19H28N4O4/c1-4-20-19(26)22-17(24)13(2)23-11-9-14(10-12-23)18(25)21-15-7-5-6-8-16(15)27-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,25)(H2,20,22,24,26)/t13-/m0/s1
InChIKeyJRTGQARRWMQTLK-ZDUSSCGKSA-N
XLogP1.58
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(benzylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444393
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444408
methyl 1-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 41075173
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60638894
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134673
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 47055282
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37177808
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 37178321) is 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is JRTGQARRWMQTLK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-4-20-19(26)22-17(24)13(2)23-11-9-14(10-12-23)18(25)21-15-7-5-6-8-16(15)27-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,25)(H2,20,22,24,26)/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 37178321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).