(4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone

C27H32N4O2 — CID 74507916

IUPAC(4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
SMILESCOc1ccc(CN2Cc3[nH]cnc3CC2C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-33-23-9-7-22(8-10-23)17-31-18-25-24(28-19-29-25)16-26(31)27(32)30-13-11-21(12-14-30)15-20-5-3-2-4-6-20/h2-10,19,21,26H,11-18H2,1H3,(H,28,29)
InChIKeyDBTBOFQOWCTMPA-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.83
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone

(4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone (PubChem CID 74507916) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
PubChem CID74507916
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name(4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
SMILESCOc1ccc(CN2Cc3[nH]cnc3CC2C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-33-23-9-7-22(8-10-23)17-31-18-25-24(28-19-29-25)16-26(31)27(32)30-13-11-21(12-14-30)15-20-5-3-2-4-6-20/h2-10,19,21,26H,11-18H2,1H3,(H,28,29)
InChIKeyDBTBOFQOWCTMPA-UHFFFAOYSA-N
XLogP3.83
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 38344451
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
(6R)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97270889
(6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97270890
1-(4-benzylpiperidin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 887161
methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 74508493
5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26744806
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765874
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 119313293
1-(4-benzylpiperidin-1-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butane-1,4-dione
CID 86278511
3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide
CID 136543805
(6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97280624

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone (CID 74507916) is (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone is COc1ccc(CN2Cc3[nH]cnc3CC2C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?
The InChIKey is DBTBOFQOWCTMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-33-23-9-7-22(8-10-23)17-31-18-25-24(28-19-29-25)16-26(31)27(32)30-13-11-21(12-14-30)15-20-5-3-2-4-6-20/h2-10,19,21,26H,11-18H2,1H3,(H,28,29).
What are the key properties of (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone?
(4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone has a molecular weight of 444.58 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone is sourced from PubChem (CID 74507916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).