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

C12H23N3O2 — CID 145380334

IUPAC(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(C)/C(N)=N/C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C12H23N3O2/c1-8(2)11(13)14-12(17)15-6-4-10(5-7-15)9(3)16/h8-10,16H,4-7H2,1-3H3,(H2,13,14,17)
InChIKeyZHRICXMVWZDGHT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.21
Rot. Bonds2

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

(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 145380334) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID145380334
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(C)/C(N)=N/C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C12H23N3O2/c1-8(2)11(13)14-12(17)15-6-4-10(5-7-15)9(3)16/h8-10,16H,4-7H2,1-3H3,(H2,13,14,17)
InChIKeyZHRICXMVWZDGHT-UHFFFAOYSA-N
XLogP1.21
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.21
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'}

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Related Compounds

(NZ)-N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide
CID 89848427
N-(1-aminoethylidene)-4-hydroxypiperidine-1-carboxamide
CID 123167269
N-(1-amino-2-methylpropylidene)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 123684516
N-(1-amino-2-methylpropylidene)-4-hydroxypiperidine-1-carboxamide
CID 123906619
(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
(NZ)-N-(1-amino-2-methylpropylidene)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 144954315

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of (NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 145380334) is (NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(C)/C(N)=N/C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of (NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is ZHRICXMVWZDGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)11(13)14-12(17)15-6-4-10(5-7-15)9(3)16/h8-10,16H,4-7H2,1-3H3,(H2,13,14,17).
What are the key properties of (NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.21, 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-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 145380334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).