(NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide

C11H21N3O2 — CID 144954315

IUPAC(NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)/C(N)=N/C(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)10(12)13-11(16)14-5-3-9(7-15)4-6-14/h8-9,15H,3-7H2,1-2H3,(H2,12,13,16)
InChIKeyFTROKXOCVBGLTQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.82
Rot. Bonds2

About (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide

(NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 144954315) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID144954315
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)/C(N)=N/C(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)10(12)13-11(16)14-5-3-9(7-15)4-6-14/h8-9,15H,3-7H2,1-2H3,(H2,12,13,16)
InChIKeyFTROKXOCVBGLTQ-UHFFFAOYSA-N
XLogP0.82
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide
CID 89848427
N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 123684516
N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide
CID 123906619
Ethane;4-(hydroxymethyl)piperidine-1-carboxamide
CID 144841016
(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 145380334
(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
CID 163960989
N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide
CID 143776658

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 144954315) is (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide is CC(C)/C(N)=N/C(=O)N1CCC(CO)CC1.
What is the InChIKey of (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is FTROKXOCVBGLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)10(12)13-11(16)14-5-3-9(7-15)4-6-14/h8-9,15H,3-7H2,1-2H3,(H2,12,13,16).
What are the key properties of (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide?
(NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 144954315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).