1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone

C14H22N4O — CID 66161737

IUPAC1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cncn2C2CC2)CC1
InChIInChI=1S/C14H22N4O/c1-11(19)17-6-4-12(5-7-17)16-9-14-8-15-10-18(14)13-2-3-13/h8,10,12-13,16H,2-7,9H2,1H3
InChIKeyLDLBGLFUUDZWBF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.32
Rot. Bonds4

About 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone

1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 66161737) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID66161737
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cncn2C2CC2)CC1
InChIInChI=1S/C14H22N4O/c1-11(19)17-6-4-12(5-7-17)16-9-14-8-15-10-18(14)13-2-3-13/h8,10,12-13,16H,2-7,9H2,1H3
InChIKeyLDLBGLFUUDZWBF-UHFFFAOYSA-N
XLogP1.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66140196
N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66139617
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 66164730
N-[(3-cyclopropylimidazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 66164257
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 66164278
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine
CID 114117964
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 66164873
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 66162681
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 66162353
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone (CID 66161737) is 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2cncn2C2CC2)CC1.
What is the InChIKey of 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is LDLBGLFUUDZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(19)17-6-4-12(5-7-17)16-9-14-8-15-10-18(14)13-2-3-13/h8,10,12-13,16H,2-7,9H2,1H3.
What are the key properties of 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 262.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 66161737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).