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

C25H43N3O4 — CID 140646753

IUPACN-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
SMILESNCC1CCCC(C2CCN(C(=O)C3CCCC(NC(=O)C(O)C4(O)CCC4)C3)CC2)C1
InChIInChI=1S/C25H43N3O4/c26-16-17-4-1-5-19(14-17)18-8-12-28(13-9-18)24(31)20-6-2-7-21(15-20)27-23(30)22(29)25(32)10-3-11-25/h17-22,29,32H,1-16,26H2,(H,27,30)
InChIKeyCACGOJIHQUAJTD-UHFFFAOYSA-N
MW449.64 g/mol
LogP1.94
Rot. Bonds6

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

N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide (PubChem CID 140646753) has the molecular formula C25H43N3O4 and a molecular weight of 449.64 g/mol. Its IUPAC name is N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
PubChem CID140646753
Molecular FormulaC25H43N3O4
Molecular Weight449.64 g/mol
Exact Mass449.33
IUPAC NameN-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
SMILESNCC1CCCC(C2CCN(C(=O)C3CCCC(NC(=O)C(O)C4(O)CCC4)C3)CC2)C1
InChIInChI=1S/C25H43N3O4/c26-16-17-4-1-5-19(14-17)18-8-12-28(13-9-18)24(31)20-6-2-7-21(15-20)27-23(30)22(29)25(32)10-3-11-25/h17-22,29,32H,1-16,26H2,(H,27,30)
InChIKeyCACGOJIHQUAJTD-UHFFFAOYSA-N
XLogP1.94
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide with MolForge

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Related Compounds

N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 140644416
[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
[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162410
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313
[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
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone
CID 140646765
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[5-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]boronic acid
CID 140644379
2-(azetidin-3-yl)-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]acetamide
CID 140845379
tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate
CID 140646692
2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide
CID 62807118

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide?
The IUPAC name of N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide (CID 140646753) is N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide.
What is the SMILES notation for N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide?
The canonical SMILES for N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide is NCC1CCCC(C2CCN(C(=O)C3CCCC(NC(=O)C(O)C4(O)CCC4)C3)CC2)C1.
What is the InChIKey of N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide?
The InChIKey is CACGOJIHQUAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O4/c26-16-17-4-1-5-19(14-17)18-8-12-28(13-9-18)24(31)20-6-2-7-21(15-20)27-23(30)22(29)25(32)10-3-11-25/h17-22,29,32H,1-16,26H2,(H,27,30).
What are the key properties of N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide?
N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide has a molecular weight of 449.64 g/mol, XLogP of 1.94, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide is sourced from PubChem (CID 140646753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).