[(4-methylpiperidin-4-yl)amino]carbamic acid

C7H15N3O2 — CID 174694295

IUPAC[(4-methylpiperidin-4-yl)amino]carbamic acid
SMILESCC1(NNC(=O)O)CCNCC1
InChIInChI=1S/C7H15N3O2/c1-7(10-9-6(11)12)2-4-8-5-3-7/h8-10H,2-5H2,1H3,(H,11,12)
InChIKeyJYIQKRZDUFUOPR-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.10
Rot. Bonds2

About [(4-methylpiperidin-4-yl)amino]carbamic acid

[(4-methylpiperidin-4-yl)amino]carbamic acid (PubChem CID 174694295) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is [(4-methylpiperidin-4-yl)amino]carbamic acid.

Molecular Properties

Compound Name[(4-methylpiperidin-4-yl)amino]carbamic acid
PubChem CID174694295
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name[(4-methylpiperidin-4-yl)amino]carbamic acid
SMILESCC1(NNC(=O)O)CCNCC1
InChIInChI=1S/C7H15N3O2/c1-7(10-9-6(11)12)2-4-8-5-3-7/h8-10H,2-5H2,1H3,(H,11,12)
InChIKeyJYIQKRZDUFUOPR-UHFFFAOYSA-N
XLogP-0.10
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
2-methyl-N-(4-methylpiperidin-4-yl)propanamide
CID 114696426
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide
CID 114696256
N,4-dimethylpiperidin-4-amine;ethane
CID 162525736
1,1-diethyl-3-(4-methylpiperidin-4-yl)urea
CID 114696676
N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride
CID 130747775
(4-ethylpiperidin-4-yl)carbamic acid
CID 141381339
3-methyl-N-(4-methylpiperidin-4-yl)pentanamide
CID 114875717
N-(4-methylpiperidin-4-yl)azepane-1-carboxamide
CID 114696669
N-(4-methylpiperidin-4-yl)-2-methylsulfonylacetamide
CID 114696301
2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 107423005

Frequently Asked Questions

What is the IUPAC name of [(4-methylpiperidin-4-yl)amino]carbamic acid?
The IUPAC name of [(4-methylpiperidin-4-yl)amino]carbamic acid (CID 174694295) is [(4-methylpiperidin-4-yl)amino]carbamic acid.
What is the SMILES notation for [(4-methylpiperidin-4-yl)amino]carbamic acid?
The canonical SMILES for [(4-methylpiperidin-4-yl)amino]carbamic acid is CC1(NNC(=O)O)CCNCC1.
What is the InChIKey of [(4-methylpiperidin-4-yl)amino]carbamic acid?
The InChIKey is JYIQKRZDUFUOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-7(10-9-6(11)12)2-4-8-5-3-7/h8-10H,2-5H2,1H3,(H,11,12).
What are the key properties of [(4-methylpiperidin-4-yl)amino]carbamic acid?
[(4-methylpiperidin-4-yl)amino]carbamic acid has a molecular weight of 173.22 g/mol, XLogP of -0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylpiperidin-4-yl)amino]carbamic acid is sourced from PubChem (CID 174694295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).