N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide

C14H27N3O — CID 113267487

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCN1CCC(CCNC(=O)CC2CCCN2)CC1
InChIInChI=1S/C14H27N3O/c1-17-9-5-12(6-10-17)4-8-16-14(18)11-13-3-2-7-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyZBBZYNVWAVNTSK-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds5

About N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 113267487) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID113267487
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCN1CCC(CCNC(=O)CC2CCCN2)CC1
InChIInChI=1S/C14H27N3O/c1-17-9-5-12(6-10-17)4-8-16-14(18)11-13-3-2-7-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyZBBZYNVWAVNTSK-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119898449
N-(2-cyclohexylethyl)-2-piperidin-2-ylacetamide
CID 54932758
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457
N-(2-cyclohexylethyl)-2-(4-methylpiperazin-2-yl)acetamide
CID 115178336
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
2-(4-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115178337
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 113267487) is N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide is CN1CCC(CCNC(=O)CC2CCCN2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is ZBBZYNVWAVNTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-17-9-5-12(6-10-17)4-8-16-14(18)11-13-3-2-7-15-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 113267487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).