2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C16H31N3O — CID 106632109

IUPAC2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)N(CC1CCCCN1)C(C)C(=O)N1CCCC1
InChIInChI=1S/C16H31N3O/c1-13(2)19(12-15-8-4-5-9-17-15)14(3)16(20)18-10-6-7-11-18/h13-15,17H,4-12H2,1-3H3
InChIKeyWGGULAJMFBARJR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.85
Rot. Bonds5

About 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 106632109) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID106632109
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)N(CC1CCCCN1)C(C)C(=O)N1CCCC1
InChIInChI=1S/C16H31N3O/c1-13(2)19(12-15-8-4-5-9-17-15)14(3)16(20)18-10-6-7-11-18/h13-15,17H,4-12H2,1-3H3
InChIKeyWGGULAJMFBARJR-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(piperidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 106635350
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 106631912
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 106615136
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614462
2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 62341258
2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide
CID 106632123
2-(1-piperidin-2-ylpropan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 113405923
N-(piperidin-2-ylmethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 106629741
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614794
1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one
CID 79705244

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 106632109) is 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC(C)N(CC1CCCCN1)C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WGGULAJMFBARJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)19(12-15-8-4-5-9-17-15)14(3)16(20)18-10-6-7-11-18/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 106632109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).