1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide

C15H18Cl2N4O3 — CID 43074677

IUPAC1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
SMILESNC(=O)NC(=O)CN1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N4O3/c16-10-5-4-9(7-11(10)17)19-14(23)12-3-1-2-6-21(12)8-13(22)20-15(18)24/h4-5,7,12H,1-3,6,8H2,(H,19,23)(H3,18,20,22,24)
InChIKeyOOXXZRCGBBSEIP-UHFFFAOYSA-N
MW373.24 g/mol
LogP1.98
Rot. Bonds4

About 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide

1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide (PubChem CID 43074677) has the molecular formula C15H18Cl2N4O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
PubChem CID43074677
Molecular FormulaC15H18Cl2N4O3
Molecular Weight373.24 g/mol
Exact Mass372.08
IUPAC Name1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
SMILESNC(=O)NC(=O)CN1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N4O3/c16-10-5-4-9(7-11(10)17)19-14(23)12-3-1-2-6-21(12)8-13(22)20-15(18)24/h4-5,7,12H,1-3,6,8H2,(H,19,23)(H3,18,20,22,24)
InChIKeyOOXXZRCGBBSEIP-UHFFFAOYSA-N
XLogP1.98
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063787
(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 39013591
N-(3,4-dichlorophenyl)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063775
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394
N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 43063745
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406069
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide (CID 43074677) is 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide is NC(=O)NC(=O)CN1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
The InChIKey is OOXXZRCGBBSEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O3/c16-10-5-4-9(7-11(10)17)19-14(23)12-3-1-2-6-21(12)8-13(22)20-15(18)24/h4-5,7,12H,1-3,6,8H2,(H,19,23)(H3,18,20,22,24).
What are the key properties of 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 43074677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).