N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide

C21H39N3O2 — CID 45250630

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide
SMILESCOCC(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C21H39N3O2/c1-26-18-21(25)24(15-14-22-11-5-2-6-12-22)17-19-8-7-13-23(16-19)20-9-3-4-10-20/h19-20H,2-18H2,1H3
InChIKeyCRSQRZYCYKJVQU-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.60
Rot. Bonds8

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide

N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 45250630) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID45250630
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide
SMILESCOCC(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C21H39N3O2/c1-26-18-21(25)24(15-14-22-11-5-2-6-12-22)17-19-8-7-13-23(16-19)20-9-3-4-10-20/h19-20H,2-18H2,1H3
InChIKeyCRSQRZYCYKJVQU-UHFFFAOYSA-N
XLogP2.60
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide (CID 45250630) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide is COCC(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is CRSQRZYCYKJVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-26-18-21(25)24(15-14-22-11-5-2-6-12-22)17-19-8-7-13-23(16-19)20-9-3-4-10-20/h19-20H,2-18H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 365.56 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methoxy-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 45250630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).