N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide

C18H27ClN4O2 — CID 119917202

IUPACN-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN2CCCC(C(=O)NCCN)C2)c(Cl)c1
InChIInChI=1S/C18H27ClN4O2/c1-12-8-13(2)17(15(19)9-12)22-16(24)11-23-7-3-4-14(10-23)18(25)21-6-5-20/h8-9,14H,3-7,10-11,20H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyFVQSJTKHFSREEJ-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.68
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 119917202) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID119917202
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN2CCCC(C(=O)NCCN)C2)c(Cl)c1
InChIInChI=1S/C18H27ClN4O2/c1-12-8-13(2)17(15(19)9-12)22-16(24)11-23-7-3-4-14(10-23)18(25)21-6-5-20/h8-9,14H,3-7,10-11,20H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyFVQSJTKHFSREEJ-UHFFFAOYSA-N
XLogP1.68
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026146
ethyl 1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 16554662
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide;hydrochloride
CID 119915863
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide;hydrochloride
CID 119925776
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 102977555
N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916680
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
N-(2-aminoethyl)-1-[2-(cyclopentylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63252704
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583041

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 119917202) is N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide is Cc1cc(C)c(NC(=O)CN2CCCC(C(=O)NCCN)C2)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is FVQSJTKHFSREEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-12-8-13(2)17(15(19)9-12)22-16(24)11-23-7-3-4-14(10-23)18(25)21-6-5-20/h8-9,14H,3-7,10-11,20H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119917202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).