N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C17H19ClN4O2 — CID 108885377

IUPACN-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCOc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19ClN4O2/c18-14-4-6-15(7-5-14)24-13-20-17(23)22-11-9-21(10-12-22)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23)
InChIKeyBJQSDIGUDUKRMI-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.60
Rot. Bonds4

About N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108885377) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108885377
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCOc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19ClN4O2/c18-14-4-6-15(7-5-14)24-13-20-17(23)22-11-9-21(10-12-22)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23)
InChIKeyBJQSDIGUDUKRMI-UHFFFAOYSA-N
XLogP2.60
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-[1-(4-chlorophenyl)cyclopropyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113215447
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
4-pyridin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974307
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994397
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
CID 112974901

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108885377) is N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(NCOc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is BJQSDIGUDUKRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-4-6-15(7-5-14)24-13-20-17(23)22-11-9-21(10-12-22)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23).
What are the key properties of N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108885377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).