N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide

C18H33N3O3 — CID 154741836

IUPACN-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CN(C)CC2(O)CCCCCC2)C1
InChIInChI=1S/C18H33N3O3/c1-15(22)19-16-8-7-11-21(12-16)17(23)13-20(2)14-18(24)9-5-3-4-6-10-18/h16,24H,3-14H2,1-2H3,(H,19,22)
InChIKeyQLKBVKKRIXYIST-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.13
Rot. Bonds5

About N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide

N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide (PubChem CID 154741836) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide
PubChem CID154741836
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CN(C)CC2(O)CCCCCC2)C1
InChIInChI=1S/C18H33N3O3/c1-15(22)19-16-8-7-11-21(12-16)17(23)13-20(2)14-18(24)9-5-3-4-6-10-18/h16,24H,3-14H2,1-2H3,(H,19,22)
InChIKeyQLKBVKKRIXYIST-UHFFFAOYSA-N
XLogP1.13
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 115758301
N-[(3R)-1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]acetamide
CID 124516868
N-[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119288778
2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 65213919
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
1-(2,6-dimethylmorpholin-4-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 115758447
N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide
CID 97091572
2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 55048950
N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
CID 71926391
N-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-3-yl]acetamide;hydrochloride
CID 119908203
N-[(3R)-1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 100891285

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide (CID 154741836) is N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)CN(C)CC2(O)CCCCCC2)C1.
What is the InChIKey of N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide?
The InChIKey is QLKBVKKRIXYIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-15(22)19-16-8-7-11-21(12-16)17(23)13-20(2)14-18(24)9-5-3-4-6-10-18/h16,24H,3-14H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide?
N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 154741836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).