N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide

C19H24N4O2 — CID 108883277

IUPACN-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCCOc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(21-11-6-16-25-17-7-2-1-3-8-17)23-14-12-22(13-15-23)18-9-4-5-10-20-18/h1-5,7-10H,6,11-16H2,(H,21,24)
InChIKeyZFDNKNMNOGYEKS-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.38
Rot. Bonds6

About N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108883277) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108883277
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCCOc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(21-11-6-16-25-17-7-2-1-3-8-17)23-14-12-22(13-15-23)18-9-4-5-10-20-18/h1-5,7-10H,6,11-16H2,(H,21,24)
InChIKeyZFDNKNMNOGYEKS-UHFFFAOYSA-N
XLogP2.38
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-[2-(3-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112970343
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
CID 112974901
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794
4-pyridin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974307
N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108885377
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113213858
N-[3-(4-fluorophenoxy)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220277
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112977019

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108883277) is N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(NCCCOc1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is ZFDNKNMNOGYEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(21-11-6-16-25-17-7-2-1-3-8-17)23-14-12-22(13-15-23)18-9-4-5-10-20-18/h1-5,7-10H,6,11-16H2,(H,21,24).
What are the key properties of N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108883277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).