benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid

C20H30N2O2 — CID 86616309

IUPACbenzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid
SMILESO=C(O)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1CN1CCCCC1
InChIInChI=1S/C20H30N2O2/c23-20(24)22(15-17-9-3-1-4-10-17)19-12-6-5-11-18(19)16-21-13-7-2-8-14-21/h1,3-4,9-10,18-19H,2,5-8,11-16H2,(H,23,24)/t18-,19-/m1/s1
InChIKeyNQDXCZSXVAWKEG-RTBURBONSA-N
MW330.47 g/mol
LogP4.21
Rot. Bonds5

About benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid

benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid (PubChem CID 86616309) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid
PubChem CID86616309
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namebenzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid
SMILESO=C(O)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1CN1CCCCC1
InChIInChI=1S/C20H30N2O2/c23-20(24)22(15-17-9-3-1-4-10-17)19-12-6-5-11-18(19)16-21-13-7-2-8-14-21/h1,3-4,9-10,18-19H,2,5-8,11-16H2,(H,23,24)/t18-,19-/m1/s1
InChIKeyNQDXCZSXVAWKEG-RTBURBONSA-N
XLogP4.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786
2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide
CID 70031264
2-amino-N-benzyl-N-(2-benzylcyclohexyl)acetamide
CID 70031263
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
benzyl-[4-(6-pyrrolidin-1-ylhexoxy)cyclohexyl]carbamic acid
CID 22567909
benzyl-[(1S,2S)-2-[benzyl(carboxy)amino]cyclohex-3-en-1-yl]carbamic acid
CID 122441352
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide
CID 118558614
N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 118558613
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101

Frequently Asked Questions

What is the IUPAC name of benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid?
The IUPAC name of benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid (CID 86616309) is benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid?
The canonical SMILES for benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid is O=C(O)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1CN1CCCCC1.
What is the InChIKey of benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid?
The InChIKey is NQDXCZSXVAWKEG-RTBURBONSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-20(24)22(15-17-9-3-1-4-10-17)19-12-6-5-11-18(19)16-21-13-7-2-8-14-21/h1,3-4,9-10,18-19H,2,5-8,11-16H2,(H,23,24)/t18-,19-/m1/s1.
What are the key properties of benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid?
benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid has a molecular weight of 330.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 86616309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).