1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one

C14H28N4O — CID 63241391

IUPAC1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCC(C)NCC1CCCN(CCN2CCNC2=O)C1
InChIInChI=1S/C14H28N4O/c1-12(2)16-10-13-4-3-6-17(11-13)8-9-18-7-5-15-14(18)19/h12-13,16H,3-11H2,1-2H3,(H,15,19)
InChIKeyCLONCFVPHTYKBV-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.72
Rot. Bonds6

About 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 63241391) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID63241391
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCC(C)NCC1CCCN(CCN2CCNC2=O)C1
InChIInChI=1S/C14H28N4O/c1-12(2)16-10-13-4-3-6-17(11-13)8-9-18-7-5-15-14(18)19/h12-13,16H,3-11H2,1-2H3,(H,15,19)
InChIKeyCLONCFVPHTYKBV-UHFFFAOYSA-N
XLogP0.72
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
1-[2-(3-cyclopentylpiperidin-1-yl)ethyl]imidazolidin-2-one
CID 166265531
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 55176008
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 55174076
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one
CID 115316650
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one
CID 114799781
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 63854326
1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one
CID 104977313
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 63241391) is 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one is CC(C)NCC1CCCN(CCN2CCNC2=O)C1.
What is the InChIKey of 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is CLONCFVPHTYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-12(2)16-10-13-4-3-6-17(11-13)8-9-18-7-5-15-14(18)19/h12-13,16H,3-11H2,1-2H3,(H,15,19).
What are the key properties of 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 63241391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).