N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide

C23H43N3O3Si — CID 140644416

IUPACN-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide
SMILESC[Si](C)(O)CC(=O)NC1CCCC(C(=O)N2CCC(C3CCCC(CN)C3)CC2)C1
InChIInChI=1S/C23H43N3O3Si/c1-30(2,29)16-22(27)25-21-8-4-7-20(14-21)23(28)26-11-9-18(10-12-26)19-6-3-5-17(13-19)15-24/h17-21,29H,3-16,24H2,1-2H3,(H,25,27)
InChIKeyKIVHWTJIBQFNJU-UHFFFAOYSA-N
MW437.70 g/mol
LogP2.86
Rot. Bonds6

About N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide

N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide (PubChem CID 140644416) has the molecular formula C23H43N3O3Si and a molecular weight of 437.70 g/mol. Its IUPAC name is N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide
PubChem CID140644416
Molecular FormulaC23H43N3O3Si
Molecular Weight437.70 g/mol
Exact Mass437.31
IUPAC NameN-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide
SMILESC[Si](C)(O)CC(=O)NC1CCCC(C(=O)N2CCC(C3CCCC(CN)C3)CC2)C1
InChIInChI=1S/C23H43N3O3Si/c1-30(2,29)16-22(27)25-21-8-4-7-20(14-21)23(28)26-11-9-18(10-12-26)19-6-3-5-17(13-19)15-24/h17-21,29H,3-16,24H2,1-2H3,(H,25,27)
InChIKeyKIVHWTJIBQFNJU-UHFFFAOYSA-N
XLogP2.86
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.70
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
CID 140646753
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]cyclohexyl]methanone
CID 140646796
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone
CID 140644306
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[2-[[hydroxy(dimethyl)silyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanone
CID 140644467
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-[hydroxy(dimethyl)silyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanone
CID 140644455
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone
CID 140646765
[7-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]spiro[3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-1,1'-azolidin-1-ium]-2-yl]boronic acid
CID 163455750
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
CID 62808710
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate
CID 140646692
[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162410
[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63175176

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide?
The IUPAC name of N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide (CID 140644416) is N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide.
What is the SMILES notation for N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide?
The canonical SMILES for N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide is C[Si](C)(O)CC(=O)NC1CCCC(C(=O)N2CCC(C3CCCC(CN)C3)CC2)C1.
What is the InChIKey of N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide?
The InChIKey is KIVHWTJIBQFNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O3Si/c1-30(2,29)16-22(27)25-21-8-4-7-20(14-21)23(28)26-11-9-18(10-12-26)19-6-3-5-17(13-19)15-24/h17-21,29H,3-16,24H2,1-2H3,(H,25,27).
What are the key properties of N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide?
N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide has a molecular weight of 437.70 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide is sourced from PubChem (CID 140644416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).