[(3R)-1-methylpiperidin-3-yl]carbamic acid

C7H14N2O2 — CID 175691082

IUPAC[(3R)-1-methylpiperidin-3-yl]carbamic acid
SMILESCN1CCC[C@@H](NC(=O)O)C1
InChIInChI=1S/C7H14N2O2/c1-9-4-2-3-6(5-9)8-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyURDDYBUCFSNMRJ-ZCFIWIBFSA-N
MW158.20 g/mol
LogP0.35
Rot. Bonds1

About [(3R)-1-methylpiperidin-3-yl]carbamic acid

[(3R)-1-methylpiperidin-3-yl]carbamic acid (PubChem CID 175691082) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(3R)-1-methylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-methylpiperidin-3-yl]carbamic acid
PubChem CID175691082
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(3R)-1-methylpiperidin-3-yl]carbamic acid
SMILESCN1CCC[C@@H](NC(=O)O)C1
InChIInChI=1S/C7H14N2O2/c1-9-4-2-3-6(5-9)8-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyURDDYBUCFSNMRJ-ZCFIWIBFSA-N
XLogP0.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
(Z)-2,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobut-2-enoic acid
CID 55169838
N-[(3S)-1-methylpiperidin-3-yl]prop-2-enamide
CID 118137431
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
[(3S)-1-propylpiperidin-3-yl]carbamic acid
CID 118936390
2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 63645788
4-hydroxy-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 115150764
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
CID 117234729
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817105
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115164768

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpiperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-methylpiperidin-3-yl]carbamic acid (CID 175691082) is [(3R)-1-methylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-methylpiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-methylpiperidin-3-yl]carbamic acid is CN1CCC[C@@H](NC(=O)O)C1.
What is the InChIKey of [(3R)-1-methylpiperidin-3-yl]carbamic acid?
The InChIKey is URDDYBUCFSNMRJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9-4-2-3-6(5-9)8-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of [(3R)-1-methylpiperidin-3-yl]carbamic acid?
[(3R)-1-methylpiperidin-3-yl]carbamic acid has a molecular weight of 158.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 175691082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).