4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide

C27H38N4O3 — CID 10298652

IUPAC4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)Nc3ccc(OC)c(C4CCN(C(C)C)CC4)c3)CC2)c1
InChIInChI=1S/C27H38N4O3/c1-20(2)29-12-10-21(11-13-29)25-18-22(8-9-26(25)34-4)28-27(32)31-16-14-30(15-17-31)23-6-5-7-24(19-23)33-3/h5-9,18-21H,10-17H2,1-4H3,(H,28,32)
InChIKeyXSSDCSRGQUHKCS-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.65
Rot. Bonds6

About 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide

4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide (PubChem CID 10298652) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
PubChem CID10298652
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC Name4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)Nc3ccc(OC)c(C4CCN(C(C)C)CC4)c3)CC2)c1
InChIInChI=1S/C27H38N4O3/c1-20(2)29-12-10-21(11-13-29)25-18-22(8-9-26(25)34-4)28-27(32)31-16-14-30(15-17-31)23-6-5-7-24(19-23)33-3/h5-9,18-21H,10-17H2,1-4H3,(H,28,32)
InChIKeyXSSDCSRGQUHKCS-UHFFFAOYSA-N
XLogP4.65
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
CID 10163775
4-(2,4-dimethylphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
CID 10226759
N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10229692
4-(6-chloro-1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
CID 10279949
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide
CID 10457091
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide (CID 10298652) is 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)Nc3ccc(OC)c(C4CCN(C(C)C)CC4)c3)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is XSSDCSRGQUHKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-20(2)29-12-10-21(11-13-29)25-18-22(8-9-26(25)34-4)28-27(32)31-16-14-30(15-17-31)23-6-5-7-24(19-23)33-3/h5-9,18-21H,10-17H2,1-4H3,(H,28,32).
What are the key properties of 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide?
4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 10298652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).