N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide

C22H39N3O2 — CID 45187596

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)C1=CCCC1
InChIInChI=1S/C22H39N3O2/c1-3-24-12-6-9-21(24)18-25(22(26)20-7-4-5-8-20)17-19-10-13-23(14-11-19)15-16-27-2/h7,19,21H,3-6,8-18H2,1-2H3
InChIKeyIRPHEPPFXCKWDP-UHFFFAOYSA-N
MW377.57 g/mol
LogP2.77
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide (PubChem CID 45187596) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide
PubChem CID45187596
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)C1=CCCC1
InChIInChI=1S/C22H39N3O2/c1-3-24-12-6-9-21(24)18-25(22(26)20-7-4-5-8-20)17-19-10-13-23(14-11-19)15-16-27-2/h7,19,21H,3-6,8-18H2,1-2H3
InChIKeyIRPHEPPFXCKWDP-UHFFFAOYSA-N
XLogP2.77
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide (CID 45187596) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)C1=CCCC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide?
The InChIKey is IRPHEPPFXCKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c1-3-24-12-6-9-21(24)18-25(22(26)20-7-4-5-8-20)17-19-10-13-23(14-11-19)15-16-27-2/h7,19,21H,3-6,8-18H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide has a molecular weight of 377.57 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 45187596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).