(6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C20H26N4O — CID 167931525

IUPAC(6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESNC1CCCc2ccc(C(=O)N3CCCC(c4ncc[nH]4)C3)cc2C1
InChIInChI=1S/C20H26N4O/c21-18-5-1-3-14-6-7-15(11-17(14)12-18)20(25)24-10-2-4-16(13-24)19-22-8-9-23-19/h6-9,11,16,18H,1-5,10,12-13,21H2,(H,22,23)
InChIKeyDPVITDRCBHXJFD-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.64
Rot. Bonds2

About (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone

(6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 167931525) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID167931525
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESNC1CCCc2ccc(C(=O)N3CCCC(c4ncc[nH]4)C3)cc2C1
InChIInChI=1S/C20H26N4O/c21-18-5-1-3-14-6-7-15(11-17(14)12-18)20(25)24-10-2-4-16(13-24)19-22-8-9-23-19/h6-9,11,16,18H,1-5,10,12-13,21H2,(H,22,23)
InChIKeyDPVITDRCBHXJFD-UHFFFAOYSA-N
XLogP2.64
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110104147
5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 70749547
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
6-[(3R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124996465
[4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 163316198
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110113168
[3-(1H-imidazol-2-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 74245727
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70735417
6-cyclopropyl-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563424

Frequently Asked Questions

What is the IUPAC name of (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 167931525) is (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone is NC1CCCc2ccc(C(=O)N3CCCC(c4ncc[nH]4)C3)cc2C1.
What is the InChIKey of (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is DPVITDRCBHXJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-18-5-1-3-14-6-7-15(11-17(14)12-18)20(25)24-10-2-4-16(13-24)19-22-8-9-23-19/h6-9,11,16,18H,1-5,10,12-13,21H2,(H,22,23).
What are the key properties of (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
(6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 167931525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).