N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide

C19H23ClN4O — CID 45274385

IUPACN-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2c(Cl)cncc2-c2ccccc2)CC1
InChIInChI=1S/C19H23ClN4O/c20-17-13-22-12-16(14-4-2-1-3-5-14)18(17)24-10-6-15(7-11-24)19(25)23-9-8-21/h1-5,12-13,15H,6-11,21H2,(H,23,25)
InChIKeyNFQMRNHWVIHHSV-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.69
Rot. Bonds5

About N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide

N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45274385) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45274385
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2c(Cl)cncc2-c2ccccc2)CC1
InChIInChI=1S/C19H23ClN4O/c20-17-13-22-12-16(14-4-2-1-3-5-14)18(17)24-10-6-15(7-11-24)19(25)23-9-8-21/h1-5,12-13,15H,6-11,21H2,(H,23,25)
InChIKeyNFQMRNHWVIHHSV-UHFFFAOYSA-N
XLogP2.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide (CID 45274385) is N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide is NCCNC(=O)C1CCN(c2c(Cl)cncc2-c2ccccc2)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is NFQMRNHWVIHHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-17-13-22-12-16(14-4-2-1-3-5-14)18(17)24-10-6-15(7-11-24)19(25)23-9-8-21/h1-5,12-13,15H,6-11,21H2,(H,23,25).
What are the key properties of N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide?
N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45274385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).