2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C14H27N3O — CID 63849774

IUPAC2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCNCC1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-15-11-13-5-9-16(10-6-13)12-14(18)17-7-3-4-8-17/h13,15H,2-12H2,1H3
InChIKeyHMZZOKFGZUZSIK-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds5

About 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 63849774) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID63849774
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCNCC1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-15-11-13-5-9-16(10-6-13)12-14(18)17-7-3-4-8-17/h13,15H,2-12H2,1H3
InChIKeyHMZZOKFGZUZSIK-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608262
1-[2-[4-(ethylaminomethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
CID 80552515
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63849279
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 63849774) is 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is CCNCC1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is HMZZOKFGZUZSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-15-11-13-5-9-16(10-6-13)12-14(18)17-7-3-4-8-17/h13,15H,2-12H2,1H3.
What are the key properties of 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 253.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 63849774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).