N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide

C20H24Cl2N4O — CID 45275022

IUPACN-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCCNCc1ccccc1)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C20H24Cl2N4O/c21-17-13-24-14-18(22)19(17)26-10-6-16(7-11-26)20(27)25-9-8-23-12-15-4-2-1-3-5-15/h1-5,13-14,16,23H,6-12H2,(H,25,27)
InChIKeyUVINSCAZTIORGY-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide

N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45275022) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45275022
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC NameN-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCCNCc1ccccc1)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C20H24Cl2N4O/c21-17-13-24-14-18(22)19(17)26-10-6-16(7-11-26)20(27)25-9-8-23-12-15-4-2-1-3-5-15/h1-5,13-14,16,23H,6-12H2,(H,25,27)
InChIKeyUVINSCAZTIORGY-UHFFFAOYSA-N
XLogP3.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.51
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-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide
CID 70900591
N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide
CID 58378262
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 45274288
4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one;benzyl N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]carbamate;methane;hydrate
CID 157421868
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
2-benzyl-4-[1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonyl]piperazine-1-carboxylic acid
CID 67338817
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide (CID 45275022) is N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide is O=C(NCCNCc1ccccc1)C1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is UVINSCAZTIORGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c21-17-13-24-14-18(22)19(17)26-10-6-16(7-11-26)20(27)25-9-8-23-12-15-4-2-1-3-5-15/h1-5,13-14,16,23H,6-12H2,(H,25,27).
What are the key properties of N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 407.35 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45275022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).