4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide

C17H25Cl2N5O — CID 55808870

IUPAC4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide
SMILESO=C(NCCNc1ncc(Cl)cc1Cl)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H25Cl2N5O/c18-13-11-15(19)16(22-12-13)20-5-6-21-17(25)24-9-7-23(8-10-24)14-3-1-2-4-14/h11-12,14H,1-10H2,(H,20,22)(H,21,25)
InChIKeyHDJMVUDQUYRRGB-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.07
Rot. Bonds5

About 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide

4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide (PubChem CID 55808870) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide
PubChem CID55808870
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.33 g/mol
Exact Mass385.14
IUPAC Name4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide
SMILESO=C(NCCNc1ncc(Cl)cc1Cl)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H25Cl2N5O/c18-13-11-15(19)16(22-12-13)20-5-6-21-17(25)24-9-7-23(8-10-24)14-3-1-2-4-14/h11-12,14H,1-10H2,(H,20,22)(H,21,25)
InChIKeyHDJMVUDQUYRRGB-UHFFFAOYSA-N
XLogP3.07
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-4-methylazepane-1-carboxamide
CID 71883141
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443706
4-benzyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide
CID 52657963
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide
CID 87007350
2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
CID 87018159
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide
CID 136560466
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114518
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51957641
tert-butyl 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 60554807
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide (CID 55808870) is 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide is O=C(NCCNc1ncc(Cl)cc1Cl)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide?
The InChIKey is HDJMVUDQUYRRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N5O/c18-13-11-15(19)16(22-12-13)20-5-6-21-17(25)24-9-7-23(8-10-24)14-3-1-2-4-14/h11-12,14H,1-10H2,(H,20,22)(H,21,25).
What are the key properties of 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide?
4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide has a molecular weight of 386.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 55808870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).