1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one

C16H27N3O2 — CID 137387173

IUPAC1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(C)(CCCn2ccnc2)CC1
InChIInChI=1S/C16H27N3O2/c1-16(5-3-9-18-12-8-17-14-18)6-10-19(11-7-16)15(20)4-13-21-2/h8,12,14H,3-7,9-11,13H2,1-2H3
InChIKeyRSCHEEGQYMQYSA-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.33
Rot. Bonds7

About 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one

1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 137387173) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one
PubChem CID137387173
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(C)(CCCn2ccnc2)CC1
InChIInChI=1S/C16H27N3O2/c1-16(5-3-9-18-12-8-17-14-18)6-10-19(11-7-16)15(20)4-13-21-2/h8,12,14H,3-7,9-11,13H2,1-2H3
InChIKeyRSCHEEGQYMQYSA-UHFFFAOYSA-N
XLogP2.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125704
1-(2-methoxyethyl)imidazole
CID 14366840
4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 63125262
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
tert-butyl 4-(3-imidazol-1-ylpropoxy)-4-methylpiperidine-1-carboxylate
CID 103916001
4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 70721511
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70732876
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863911
1-(3-imidazol-1-ylpropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123353

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one (CID 137387173) is 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC(C)(CCCn2ccnc2)CC1.
What is the InChIKey of 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is RSCHEEGQYMQYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(5-3-9-18-12-8-17-14-18)6-10-19(11-7-16)15(20)4-13-21-2/h8,12,14H,3-7,9-11,13H2,1-2H3.
What are the key properties of 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one?
1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 293.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 137387173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).