N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C20H26N4O2 — CID 171093234

IUPACN-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)N2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-16(2)26-19-5-3-4-18(14-19)22-20(25)24-12-10-23(11-13-24)15-17-6-8-21-9-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,25)
InChIKeyPZCSQYKKEDSGGB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.22
Rot. Bonds5

About N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 171093234) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID171093234
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)N2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-16(2)26-19-5-3-4-18(14-19)22-20(25)24-12-10-23(11-13-24)15-17-6-8-21-9-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,25)
InChIKeyPZCSQYKKEDSGGB-UHFFFAOYSA-N
XLogP3.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 171093234) is N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is CC(C)Oc1cccc(NC(=O)N2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is PZCSQYKKEDSGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16(2)26-19-5-3-4-18(14-19)22-20(25)24-12-10-23(11-13-24)15-17-6-8-21-9-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 171093234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).