N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C18H22N4O2 — CID 86816169

IUPACN-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NOCc1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(20-24-15-16-6-2-1-3-7-16)22-12-10-21(11-13-22)14-17-8-4-5-9-19-17/h1-9H,10-15H2,(H,20,23)
InChIKeyHVNNHVYMNGVXBR-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.04
Rot. Bonds5

About N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 86816169) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID86816169
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NOCc1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(20-24-15-16-6-2-1-3-7-16)22-12-10-21(11-13-22)14-17-8-4-5-9-19-17/h1-9H,10-15H2,(H,20,23)
InChIKeyHVNNHVYMNGVXBR-UHFFFAOYSA-N
XLogP2.04
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
N-phenylmethoxyazepane-1-carboxamide
CID 112689523
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 79345467
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
N-[3-(dimethylamino)propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113106252
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
3-benzylsulfanyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 90650755
N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 86816169) is N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(NOCc1ccccc1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is HVNNHVYMNGVXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(20-24-15-16-6-2-1-3-7-16)22-12-10-21(11-13-22)14-17-8-4-5-9-19-17/h1-9H,10-15H2,(H,20,23).
What are the key properties of N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86816169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).