(2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide

C26H30N4O2 — CID 129458144

IUPAC(2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C26H30N4O2/c1-27-26(31)25-19-29(17-21-7-3-2-4-8-21)13-14-30(25)18-22-9-5-11-24(15-22)32-20-23-10-6-12-28-16-23/h2-12,15-16,25H,13-14,17-20H2,1H3,(H,27,31)/t25-/m1/s1
InChIKeySBZDGXCDYXJMNP-RUZDIDTESA-N
MW430.55 g/mol
LogP3.09
Rot. Bonds8

About (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide

(2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide (PubChem CID 129458144) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide
PubChem CID129458144
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C26H30N4O2/c1-27-26(31)25-19-29(17-21-7-3-2-4-8-21)13-14-30(25)18-22-9-5-11-24(15-22)32-20-23-10-6-12-28-16-23/h2-12,15-16,25H,13-14,17-20H2,1H3,(H,27,31)/t25-/m1/s1
InChIKeySBZDGXCDYXJMNP-RUZDIDTESA-N
XLogP3.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 97325846
(2S)-4-benzyl-N-methyl-1-pyrimidin-2-ylpiperazine-2-carboxamide
CID 95826161
(2S,4S)-1-[(3-chlorophenyl)methyl]-N-methyl-4-[(3-phenylmethoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45245718
(2S)-4-benzyl-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]piperazine-2-carboxamide
CID 129458336
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 110086108
4-benzyl-N-methyl-1-[3-(pyrimidin-2-ylamino)benzoyl]piperazine-2-carboxamide
CID 110076313
(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 95827904
1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 110086182
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 60563088

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide (CID 129458144) is (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide is CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(OCc2cccnc2)c1.
What is the InChIKey of (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide?
The InChIKey is SBZDGXCDYXJMNP-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N4O2/c1-27-26(31)25-19-29(17-21-7-3-2-4-8-21)13-14-30(25)18-22-9-5-11-24(15-22)32-20-23-10-6-12-28-16-23/h2-12,15-16,25H,13-14,17-20H2,1H3,(H,27,31)/t25-/m1/s1.
What are the key properties of (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide?
(2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide is sourced from PubChem (CID 129458144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).