1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one

C16H31N3O2 — CID 95304874

IUPAC1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one
SMILESC[C@H](O)CN1CCC(CNCCCN2CCCC2=O)CC1
InChIInChI=1S/C16H31N3O2/c1-14(20)13-18-10-5-15(6-11-18)12-17-7-3-9-19-8-2-4-16(19)21/h14-15,17,20H,2-13H2,1H3/t14-/m0/s1
InChIKeyRHXFZTLNFIASKC-AWEZNQCLSA-N
MW297.44 g/mol
LogP0.68
Rot. Bonds8

About 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one

1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 95304874) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one
PubChem CID95304874
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one
SMILESC[C@H](O)CN1CCC(CNCCCN2CCCC2=O)CC1
InChIInChI=1S/C16H31N3O2/c1-14(20)13-18-10-5-15(6-11-18)12-17-7-3-9-19-8-2-4-16(19)21/h14-15,17,20H,2-13H2,1H3/t14-/m0/s1
InChIKeyRHXFZTLNFIASKC-AWEZNQCLSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
CID 95300593
1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
CID 95607291
1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one
CID 95750292
1-[3-(2-methoxyethylamino)propyl]pyrrolidin-2-one
CID 60720084
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 111114050
1-[3-(1-sulfanylethylamino)propyl]pyrrolidin-2-one
CID 130243875
1-[3-(cyclopropylamino)propyl]pyrrolidin-2-one
CID 61387245
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 78885859
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
1-[3-[(4-ethylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 75413110

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one (CID 95304874) is 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one is C[C@H](O)CN1CCC(CNCCCN2CCCC2=O)CC1.
What is the InChIKey of 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is RHXFZTLNFIASKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14(20)13-18-10-5-15(6-11-18)12-17-7-3-9-19-8-2-4-16(19)21/h14-15,17,20H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one?
1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 297.44 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 95304874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).