4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide

C26H28N4O4 — CID 110151465

IUPAC4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCN(Cc3ccccc3)CC2C(N)=O)ccc1OCc1ccccn1
InChIInChI=1S/C26H28N4O4/c1-33-24-15-20(10-11-23(24)34-18-21-9-5-6-12-28-21)26(32)30-14-13-29(17-22(30)25(27)31)16-19-7-3-2-4-8-19/h2-12,15,22H,13-14,16-18H2,1H3,(H2,27,31)
InChIKeyJVMVBGDPFDFQDX-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.48
Rot. Bonds8

About 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide

4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide (PubChem CID 110151465) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide
PubChem CID110151465
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCN(Cc3ccccc3)CC2C(N)=O)ccc1OCc1ccccn1
InChIInChI=1S/C26H28N4O4/c1-33-24-15-20(10-11-23(24)34-18-21-9-5-6-12-28-21)26(32)30-14-13-29(17-22(30)25(27)31)16-19-7-3-2-4-8-19/h2-12,15,22H,13-14,16-18H2,1H3,(H2,27,31)
InChIKeyJVMVBGDPFDFQDX-UHFFFAOYSA-N
XLogP2.48
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide
CID 124952150
(2S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977354
(2R)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977353
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
CID 110151192
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
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
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
(4-benzylpiperazin-1-yl)-(3,4-dimethoxyphenyl)methanethione
CID 1291602

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide?
The IUPAC name of 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide (CID 110151465) is 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide?
The canonical SMILES for 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide is COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2C(N)=O)ccc1OCc1ccccn1.
What is the InChIKey of 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide?
The InChIKey is JVMVBGDPFDFQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-33-24-15-20(10-11-23(24)34-18-21-9-5-6-12-28-21)26(32)30-14-13-29(17-22(30)25(27)31)16-19-7-3-2-4-8-19/h2-12,15,22H,13-14,16-18H2,1H3,(H2,27,31).
What are the key properties of 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide?
4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide is sourced from PubChem (CID 110151465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).