N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide

C26H41N3O3 — CID 130216255

IUPACN-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide
SMILESC=C(NCCN1CCC(CNC(=O)c2cc(OCC)cc(OCC)c2)CC1)C1CCCC1
InChIInChI=1S/C26H41N3O3/c1-4-31-24-16-23(17-25(18-24)32-5-2)26(30)28-19-21-10-13-29(14-11-21)15-12-27-20(3)22-8-6-7-9-22/h16-18,21-22,27H,3-15,19H2,1-2H3,(H,28,30)
InChIKeyVHWXDZYQCSQHLI-UHFFFAOYSA-N
MW443.63 g/mol
LogP4.22
Rot. Bonds12

About N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide

N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide (PubChem CID 130216255) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide.

Molecular Properties

Compound NameN-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide
PubChem CID130216255
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC NameN-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide
SMILESC=C(NCCN1CCC(CNC(=O)c2cc(OCC)cc(OCC)c2)CC1)C1CCCC1
InChIInChI=1S/C26H41N3O3/c1-4-31-24-16-23(17-25(18-24)32-5-2)26(30)28-19-21-10-13-29(14-11-21)15-12-27-20(3)22-8-6-7-9-22/h16-18,21-22,27H,3-15,19H2,1-2H3,(H,28,30)
InChIKeyVHWXDZYQCSQHLI-UHFFFAOYSA-N
XLogP4.22
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide?
The IUPAC name of N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide (CID 130216255) is N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide.
What is the SMILES notation for N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide?
The canonical SMILES for N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide is C=C(NCCN1CCC(CNC(=O)c2cc(OCC)cc(OCC)c2)CC1)C1CCCC1.
What is the InChIKey of N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide?
The InChIKey is VHWXDZYQCSQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-4-31-24-16-23(17-25(18-24)32-5-2)26(30)28-19-21-10-13-29(14-11-21)15-12-27-20(3)22-8-6-7-9-22/h16-18,21-22,27H,3-15,19H2,1-2H3,(H,28,30).
What are the key properties of N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide?
N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide has a molecular weight of 443.63 g/mol, XLogP of 4.22, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-cyclopentylethenylamino)ethyl]piperidin-4-yl]methyl]-3,5-diethoxybenzamide is sourced from PubChem (CID 130216255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).