N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide

C23H40N2O2 — CID 45195710

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC1(CCC(=O)N(CC2CCN(C3CCCC3)CC2)CC2CCCO2)CC1
InChIInChI=1S/C23H40N2O2/c1-23(12-13-23)11-8-22(26)25(18-21-7-4-16-27-21)17-19-9-14-24(15-10-19)20-5-2-3-6-20/h19-21H,2-18H2,1H3
InChIKeyMUPHLYHQERUPHY-UHFFFAOYSA-N
MW376.59 g/mol
LogP4.23
Rot. Bonds8

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 45195710) has the molecular formula C23H40N2O2 and a molecular weight of 376.59 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID45195710
Molecular FormulaC23H40N2O2
Molecular Weight376.59 g/mol
Exact Mass376.31
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC1(CCC(=O)N(CC2CCN(C3CCCC3)CC2)CC2CCCO2)CC1
InChIInChI=1S/C23H40N2O2/c1-23(12-13-23)11-8-22(26)25(18-21-7-4-16-27-21)17-19-9-14-24(15-10-19)20-5-2-3-6-20/h19-21H,2-18H2,1H3
InChIKeyMUPHLYHQERUPHY-UHFFFAOYSA-N
XLogP4.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-pyridin-2-ylpropanamide
CID 45185082
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylpropanamide
CID 42292205
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrrole-3-carboxamide
CID 97272542
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 42463207
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42094625
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 72848069
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 45217413
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 97268592
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
N-[(1-cyclopentylpiperidin-4-yl)methyl]-6-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyran-2-carboxamide
CID 72889792
2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45240357

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide (CID 45195710) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide is CC1(CCC(=O)N(CC2CCN(C3CCCC3)CC2)CC2CCCO2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MUPHLYHQERUPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O2/c1-23(12-13-23)11-8-22(26)25(18-21-7-4-16-27-21)17-19-9-14-24(15-10-19)20-5-2-3-6-20/h19-21H,2-18H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 376.59 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 45195710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).