N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide

C19H37N3O2 — CID 95346098

IUPACN-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
SMILESC[C@@H](O)CN1CCC(CN(C)CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C19H37N3O2/c1-16(23)13-22-11-9-17(10-12-22)14-21(2)15-19(24)20-18-7-5-3-4-6-8-18/h16-18,23H,3-15H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyDDYYPVPQXRXIQN-MRXNPFEDSA-N
MW339.52 g/mol
LogP1.85
Rot. Bonds7

About N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide

N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide (PubChem CID 95346098) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
PubChem CID95346098
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC NameN-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
SMILESC[C@@H](O)CN1CCC(CN(C)CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C19H37N3O2/c1-16(23)13-22-11-9-17(10-12-22)14-21(2)15-19(24)20-18-7-5-3-4-6-8-18/h16-18,23H,3-15H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyDDYYPVPQXRXIQN-MRXNPFEDSA-N
XLogP1.85
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentylmethyl(methyl)amino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 86868172
N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide
CID 86895124
N-cyclopentyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79717424
2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 95341234
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 56802568
N-cyclohexyl-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636311
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 95345385
N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86826056
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide
CID 111105801
N-(1-ethylpiperidin-4-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 95335405

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide (CID 95346098) is N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide is C[C@@H](O)CN1CCC(CN(C)CC(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide?
The InChIKey is DDYYPVPQXRXIQN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-16(23)13-22-11-9-17(10-12-22)14-21(2)15-19(24)20-18-7-5-3-4-6-8-18/h16-18,23H,3-15H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide?
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide has a molecular weight of 339.52 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 95346098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).