4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide

C34H52N4O2 — CID 10230930

IUPAC4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide
SMILESCCN(CC)CCOc1ccc(CN2CCC(C3CCN(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)cc1
InChIInChI=1S/C34H52N4O2/c1-5-36(6-2)23-24-40-33-13-9-29(10-14-33)26-38-21-17-31(18-22-38)30-15-19-37(20-16-30)25-28-7-11-32(12-8-28)34(39)35-27(3)4/h7-14,27,30-31H,5-6,15-26H2,1-4H3,(H,35,39)
InChIKeyRXWSDELIXSDNSN-UHFFFAOYSA-N
MW548.82 g/mol
LogP5.67
Rot. Bonds13

About 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide

4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 10230930) has the molecular formula C34H52N4O2 and a molecular weight of 548.82 g/mol. Its IUPAC name is 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID10230930
Molecular FormulaC34H52N4O2
Molecular Weight548.82 g/mol
Exact Mass548.41
IUPAC Name4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide
SMILESCCN(CC)CCOc1ccc(CN2CCC(C3CCN(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)cc1
InChIInChI=1S/C34H52N4O2/c1-5-36(6-2)23-24-40-33-13-9-29(10-14-33)26-38-21-17-31(18-22-38)30-15-19-37(20-16-30)25-28-7-11-32(12-8-28)34(39)35-27(3)4/h7-14,27,30-31H,5-6,15-26H2,1-4H3,(H,35,39)
InChIKeyRXWSDELIXSDNSN-UHFFFAOYSA-N
XLogP5.67
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.82
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide with MolForge

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Related Compounds

CID 42262
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CID 95240
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CID 720058
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CID 14783871
CID 14783871
CID 71584823
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CID 9954017
CID 9954017
CID 44275807
CID 44275807
CID 2222949
CID 2222949
CID 2222974
CID 2222974
CID 2225978
CID 2225978
CID 2244662
CID 2244662

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide (CID 10230930) is 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide is CCN(CC)CCOc1ccc(CN2CCC(C3CCN(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)cc1.
What is the InChIKey of 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is RXWSDELIXSDNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N4O2/c1-5-36(6-2)23-24-40-33-13-9-29(10-14-33)26-38-21-17-31(18-22-38)30-15-19-37(20-16-30)25-28-7-11-32(12-8-28)34(39)35-27(3)4/h7-14,27,30-31H,5-6,15-26H2,1-4H3,(H,35,39).
What are the key properties of 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide?
4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 548.82 g/mol, XLogP of 5.67, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 10230930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).