N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide

C19H26Cl2N4O2 — CID 11690139

IUPACN-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide
SMILESCCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C19H26Cl2N4O2/c1-2-23-7-3-4-14(13-23)18(26)24-8-10-25(11-9-24)19(27)22-15-5-6-16(20)17(21)12-15/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeyUSNLEYVXXNQTEL-CQSZACIVSA-N
MW413.35 g/mol
LogP3.40
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide (PubChem CID 11690139) has the molecular formula C19H26Cl2N4O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide
PubChem CID11690139
Molecular FormulaC19H26Cl2N4O2
Molecular Weight413.35 g/mol
Exact Mass412.14
IUPAC NameN-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide
SMILESCCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C19H26Cl2N4O2/c1-2-23-7-3-4-14(13-23)18(26)24-8-10-25(11-9-24)19(27)22-15-5-6-16(20)17(21)12-15/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeyUSNLEYVXXNQTEL-CQSZACIVSA-N
XLogP3.40
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783423
N-(3,4-dichlorophenyl)-4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}piperazine-1-carboxamide
CID 1366369
(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
CID 139267758
(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
CID 139267761
N-(3,4-dichlorophenyl)-1,4'-bipiperidine-1'-carboxamide
CID 3239572
1-{[(3R)-1-Benzylpiperidin-3-yl]methyl}-N-(3,4-dichlorophenyl)piperazine-4-carboxamide
CID 11510932
N-(3,4-Dichlorophenyl)-4-{[(3R)-1-ethylpiperidin-3-yl]methyl}piperazine-1-carboxamide
CID 11553070
4-[[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 11582651
N-(3,4-dichlorophenyl)-4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11598084
N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 11632418
N-(3,4-dichlorophenyl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11647276
N-(3,4-dichlorophenyl)-4-[[(2S)-4-ethylmorpholin-2-yl]methyl]piperazine-1-carboxamide
CID 11711078

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide (CID 11690139) is N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide is CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide?
The InChIKey is USNLEYVXXNQTEL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26Cl2N4O2/c1-2-23-7-3-4-14(13-23)18(26)24-8-10-25(11-9-24)19(27)22-15-5-6-16(20)17(21)12-15/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,22,27)/t14-/m1/s1.
What are the key properties of N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide has a molecular weight of 413.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 11690139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).