2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one

C16H28N4O — CID 66130556

IUPAC2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCCCn1cncc1CNC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C16H28N4O/c1-4-7-20-12-17-10-15(20)11-18-14-5-8-19(9-6-14)16(21)13(2)3/h10,12-14,18H,4-9,11H2,1-3H3
InChIKeyDQWMVQZZNLETOE-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.03
Rot. Bonds6

About 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 66130556) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID66130556
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCCCn1cncc1CNC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C16H28N4O/c1-4-7-20-12-17-10-15(20)11-18-14-5-8-19(9-6-14)16(21)13(2)3/h10,12-14,18H,4-9,11H2,1-3H3
InChIKeyDQWMVQZZNLETOE-UHFFFAOYSA-N
XLogP2.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997
N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
CID 66129398
1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434832
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818
2,2,6,6-tetramethyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134567
1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 66161737
2-methyl-1-[4-[(4-methylsulfanylphenyl)methylamino]piperidin-1-yl]propan-1-one
CID 43434835
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one (CID 66130556) is 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one is CCCn1cncc1CNC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is DQWMVQZZNLETOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-20-12-17-10-15(20)11-18-14-5-8-19(9-6-14)16(21)13(2)3/h10,12-14,18H,4-9,11H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 292.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 66130556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).