2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C16H31N3O — CID 63847543

IUPAC2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)NCC1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)17-12-15-6-10-18(11-7-15)14(3)16(20)19-8-4-5-9-19/h13-15,17H,4-12H2,1-3H3
InChIKeyBAQRQKGSTJVHHP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 63847543) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID63847543
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)NCC1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)17-12-15-6-10-18(11-7-15)14(3)16(20)19-8-4-5-9-19/h13-15,17H,4-12H2,1-3H3
InChIKeyBAQRQKGSTJVHHP-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 94651845
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 63847543) is 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C)NCC1CCN(C(C)C(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BAQRQKGSTJVHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)17-12-15-6-10-18(11-7-15)14(3)16(20)19-8-4-5-9-19/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 63847543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).