(9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

C20H36N4 — CID 164636420

IUPAC(9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCC(C)CN1CCC([C@H]2c3nccn3CCCN2CC(C)C)CC1
InChIInChI=1S/C20H36N4/c1-16(2)14-22-11-6-18(7-12-22)19-20-21-8-13-23(20)9-5-10-24(19)15-17(3)4/h8,13,16-19H,5-7,9-12,14-15H2,1-4H3/t19-/m0/s1
InChIKeyYZPNJKRPHNPQGF-IBGZPJMESA-N
MW332.54 g/mol
LogP3.65
Rot. Bonds5

About (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

(9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (PubChem CID 164636420) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name(9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
PubChem CID164636420
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC Name(9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCC(C)CN1CCC([C@H]2c3nccn3CCCN2CC(C)C)CC1
InChIInChI=1S/C20H36N4/c1-16(2)14-22-11-6-18(7-12-22)19-20-21-8-13-23(20)9-5-10-24(19)15-17(3)4/h8,13,16-19H,5-7,9-12,14-15H2,1-4H3/t19-/m0/s1
InChIKeyYZPNJKRPHNPQGF-IBGZPJMESA-N
XLogP3.65
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-4-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-isopropyl-1,4-diazepane
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CID 72864312
4-[2-(2-Methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
CID 95827895
8-(Cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118747223
4-Methyl-1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperidine
CID 75451217
(3-azepan-1-ylpropyl)[(1-isopropyl-1H-imidazol-2-yl)methyl]methylamine
CID 91761698
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(3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide
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CID 118775991
(9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124756423
1-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The IUPAC name of (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (CID 164636420) is (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The canonical SMILES for (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is CC(C)CN1CCC([C@H]2c3nccn3CCCN2CC(C)C)CC1.
What is the InChIKey of (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The InChIKey is YZPNJKRPHNPQGF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H36N4/c1-16(2)14-22-11-6-18(7-12-22)19-20-21-8-13-23(20)9-5-10-24(19)15-17(3)4/h8,13,16-19H,5-7,9-12,14-15H2,1-4H3/t19-/m0/s1.
What are the key properties of (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
(9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine has a molecular weight of 332.54 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 164636420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).