1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride

C15H26ClN3O2 — CID 119622567

IUPAC1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C(CN1CCCC1=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H25N3O2.ClH/c19-14-2-1-7-18(14)11-15(20)17-8-5-13(6-9-17)16-10-12-3-4-12;/h12-13,16H,1-11H2;1H
InChIKeyBXUPPXXSQFFRLL-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.02
Rot. Bonds5

About 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride

1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride (PubChem CID 119622567) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
PubChem CID119622567
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C(CN1CCCC1=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H25N3O2.ClH/c19-14-2-1-7-18(14)11-15(20)17-8-5-13(6-9-17)16-10-12-3-4-12;/h12-13,16H,1-11H2;1H
InChIKeyBXUPPXXSQFFRLL-UHFFFAOYSA-N
XLogP1.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119544452
1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 119624264
1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119624344
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride (CID 119622567) is 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride is Cl.O=C(CN1CCCC1=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is BXUPPXXSQFFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c19-14-2-1-7-18(14)11-15(20)17-8-5-13(6-9-17)16-10-12-3-4-12;/h12-13,16H,1-11H2;1H.
What are the key properties of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119622567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).