7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane

C30H55N3 — CID 176639274

IUPAC7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
SMILESCC1CCC(CN2CCC(CN3CCC4(CC3)CC(N3CCC(C(C)C)CC3)C4)CC2)CC1
InChIInChI=1S/C30H55N3/c1-24(2)28-10-16-33(17-11-28)29-20-30(21-29)12-18-32(19-13-30)23-27-8-14-31(15-9-27)22-26-6-4-25(3)5-7-26/h24-29H,4-23H2,1-3H3
InChIKeyPQZQGDLHEDFNNX-UHFFFAOYSA-N
MW457.79 g/mol
LogP6.14
Rot. Bonds6

About 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane

7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane (PubChem CID 176639274) has the molecular formula C30H55N3 and a molecular weight of 457.79 g/mol. Its IUPAC name is 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
PubChem CID176639274
Molecular FormulaC30H55N3
Molecular Weight457.79 g/mol
Exact Mass457.44
IUPAC Name7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
SMILESCC1CCC(CN2CCC(CN3CCC4(CC3)CC(N3CCC(C(C)C)CC3)C4)CC2)CC1
InChIInChI=1S/C30H55N3/c1-24(2)28-10-16-33(17-11-28)29-20-30(21-29)12-18-32(19-13-30)23-27-8-14-31(15-9-27)22-26-6-4-25(3)5-7-26/h24-29H,4-23H2,1-3H3
InChIKeyPQZQGDLHEDFNNX-UHFFFAOYSA-N
XLogP6.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.79
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane with MolForge

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Related Compounds

1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane
CID 170022851
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 170953584
3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium
CID 176984970
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine;methane
CID 160896318

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane (CID 176639274) is 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane is CC1CCC(CN2CCC(CN3CCC4(CC3)CC(N3CCC(C(C)C)CC3)C4)CC2)CC1.
What is the InChIKey of 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane?
The InChIKey is PQZQGDLHEDFNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55N3/c1-24(2)28-10-16-33(17-11-28)29-20-30(21-29)12-18-32(19-13-30)23-27-8-14-31(15-9-27)22-26-6-4-25(3)5-7-26/h24-29H,4-23H2,1-3H3.
What are the key properties of 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane?
7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane has a molecular weight of 457.79 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 176639274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).