1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one

C14H28N4O — CID 106640651

IUPAC1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
SMILESCCCN(CCN1CCNC1=O)CC1CCCNC1
InChIInChI=1S/C14H28N4O/c1-2-7-17(12-13-4-3-5-15-11-13)9-10-18-8-6-16-14(18)19/h13,15H,2-12H2,1H3,(H,16,19)
InChIKeyBNIJGRWZDDCRPJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.72
Rot. Bonds7

About 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one

1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one (PubChem CID 106640651) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
PubChem CID106640651
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
SMILESCCCN(CCN1CCNC1=O)CC1CCCNC1
InChIInChI=1S/C14H28N4O/c1-2-7-17(12-13-4-3-5-15-11-13)9-10-18-8-6-16-14(18)19/h13,15H,2-12H2,1H3,(H,16,19)
InChIKeyBNIJGRWZDDCRPJ-UHFFFAOYSA-N
XLogP0.72
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[piperidin-4-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
CID 79714384
1-[2-[piperidin-3-ylmethyl(propyl)amino]acetyl]imidazolidin-2-one
CID 106640737
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640781
2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 106640711
N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine
CID 106640928
1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 63624009
N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638421
1-methyl-5-[[piperidin-3-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 106640733
1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one
CID 79661171

Frequently Asked Questions

What is the IUPAC name of 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one (CID 106640651) is 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one is CCCN(CCN1CCNC1=O)CC1CCCNC1.
What is the InChIKey of 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one?
The InChIKey is BNIJGRWZDDCRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-2-7-17(12-13-4-3-5-15-11-13)9-10-18-8-6-16-14(18)19/h13,15H,2-12H2,1H3,(H,16,19).
What are the key properties of 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one?
1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 106640651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).