N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C28H34N6O — CID 39172108

IUPACN-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C28H34N6O/c35-28(23-10-14-34(15-11-23)27-21-29-12-13-30-27)31-20-24-6-4-5-7-25(24)22-32-16-18-33(19-17-32)26-8-2-1-3-9-26/h1-9,12-13,21,23H,10-11,14-20,22H2,(H,31,35)
InChIKeyZLTDDYHTEAYSQE-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.33
Rot. Bonds7

About N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 39172108) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID39172108
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC NameN-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C28H34N6O/c35-28(23-10-14-34(15-11-23)27-21-29-12-13-30-27)31-20-24-6-4-5-7-25(24)22-32-16-18-33(19-17-32)26-8-2-1-3-9-26/h1-9,12-13,21,23H,10-11,14-20,22H2,(H,31,35)
InChIKeyZLTDDYHTEAYSQE-UHFFFAOYSA-N
XLogP3.33
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46434350
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792432
N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide
CID 52507274
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 39172108) is N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is ZLTDDYHTEAYSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c35-28(23-10-14-34(15-11-23)27-21-29-12-13-30-27)31-20-24-6-4-5-7-25(24)22-32-16-18-33(19-17-32)26-8-2-1-3-9-26/h1-9,12-13,21,23H,10-11,14-20,22H2,(H,31,35).
What are the key properties of N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 39172108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).