4-(piperidin-4-ylamino)pyrrolidin-2-one

C9H17N3O — CID 106184253

IUPAC4-(piperidin-4-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CCNCC2)CN1
InChIInChI=1S/C9H17N3O/c13-9-5-8(6-11-9)12-7-1-3-10-4-2-7/h7-8,10,12H,1-6H2,(H,11,13)
InChIKeyVNDTWOBJWCSGRO-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.78
Rot. Bonds2

About 4-(piperidin-4-ylamino)pyrrolidin-2-one

4-(piperidin-4-ylamino)pyrrolidin-2-one (PubChem CID 106184253) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(piperidin-4-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(piperidin-4-ylamino)pyrrolidin-2-one
PubChem CID106184253
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-(piperidin-4-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CCNCC2)CN1
InChIInChI=1S/C9H17N3O/c13-9-5-8(6-11-9)12-7-1-3-10-4-2-7/h7-8,10,12H,1-6H2,(H,11,13)
InChIKeyVNDTWOBJWCSGRO-UHFFFAOYSA-N
XLogP-0.78
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(pyrrolidin-3-ylamino)piperidin-2-one
CID 79741787
4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one
CID 130559574
5-(cycloheptylamino)piperidin-2-one
CID 63379089
4-[(4-propylcycloheptyl)amino]pyrrolidin-2-one
CID 114155313
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 114155940
4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one
CID 106182616
5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
CID 63663485
5-(oxetan-3-ylamino)piperidin-2-one
CID 63661229
4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one
CID 114155168
4-[[2-(aminomethyl)cyclopentyl]amino]pyrrolidin-2-one
CID 106184314
4-[[3-(4-fluorophenyl)cyclobutyl]amino]pyrrolidin-2-one
CID 106181804
4-[(4-hydroxycyclohexyl)amino]azepan-2-one
CID 63889088

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylamino)pyrrolidin-2-one?
The IUPAC name of 4-(piperidin-4-ylamino)pyrrolidin-2-one (CID 106184253) is 4-(piperidin-4-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(piperidin-4-ylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(piperidin-4-ylamino)pyrrolidin-2-one is O=C1CC(NC2CCNCC2)CN1.
What is the InChIKey of 4-(piperidin-4-ylamino)pyrrolidin-2-one?
The InChIKey is VNDTWOBJWCSGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c13-9-5-8(6-11-9)12-7-1-3-10-4-2-7/h7-8,10,12H,1-6H2,(H,11,13).
What are the key properties of 4-(piperidin-4-ylamino)pyrrolidin-2-one?
4-(piperidin-4-ylamino)pyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 106184253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).