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

C15H29N3O — CID 106615136

IUPAC2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCCN(CC1CCCN1)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H29N3O/c1-3-17(12-14-8-7-9-16-14)13(2)15(19)18-10-5-4-6-11-18/h13-14,16H,3-12H2,1-2H3
InChIKeyPUHUCPQFBOOWFS-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds5

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

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 106615136) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID106615136
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCCN(CC1CCCN1)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H29N3O/c1-3-17(12-14-8-7-9-16-14)13(2)15(19)18-10-5-4-6-11-18/h13-14,16H,3-12H2,1-2H3
InChIKeyPUHUCPQFBOOWFS-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
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-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106632109
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 106617557
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
2-[(3-amino-2-methylpropyl)-ethylamino]-1-(azepan-1-yl)propan-1-one
CID 54987810
N-ethyl-N-(pyrrolidin-2-ylmethyl)but-3-yn-2-amine
CID 106615574
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010652
2-[piperidin-4-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79714399

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one (CID 106615136) is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one is CCN(CC1CCCN1)C(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is PUHUCPQFBOOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-17(12-14-8-7-9-16-14)13(2)15(19)18-10-5-4-6-11-18/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one?
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 267.42 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 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 106615136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).