3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one

C16H29N3O — CID 114516757

IUPAC3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one
SMILESCN1CCC(CCN2CCCC(NC3CC3)C2=O)CC1
InChIInChI=1S/C16H29N3O/c1-18-10-6-13(7-11-18)8-12-19-9-2-3-15(16(19)20)17-14-4-5-14/h13-15,17H,2-12H2,1H3
InChIKeyMXWPOANNZSMMDB-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.46
Rot. Bonds5

About 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one

3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one (PubChem CID 114516757) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one
PubChem CID114516757
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one
SMILESCN1CCC(CCN2CCCC(NC3CC3)C2=O)CC1
InChIInChI=1S/C16H29N3O/c1-18-10-6-13(7-11-18)8-12-19-9-2-3-15(16(19)20)17-14-4-5-14/h13-15,17H,2-12H2,1H3
InChIKeyMXWPOANNZSMMDB-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]propanamide
CID 79400868
3-(cyclopropylamino)-1-[(1-methylcyclobutyl)methyl]piperidin-2-one
CID 114109373
3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one
CID 106305737
3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one
CID 107159445
3-(cyclopropylamino)-1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidin-2-one
CID 106149590
N-cyclopropyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-3-amine
CID 114516764
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
CID 79238476
3-(cyclopropylamino)-1-[2-(oxan-2-yl)ethyl]pyrrolidin-2-one
CID 114136071
(3R)-3-(thian-4-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97104581
3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one
CID 82754849
3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 114185131
3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
CID 113413278

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one (CID 114516757) is 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one is CN1CCC(CCN2CCCC(NC3CC3)C2=O)CC1.
What is the InChIKey of 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one?
The InChIKey is MXWPOANNZSMMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-18-10-6-13(7-11-18)8-12-19-9-2-3-15(16(19)20)17-14-4-5-14/h13-15,17H,2-12H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one?
3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one has a molecular weight of 279.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 114516757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).