N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide

C14H21F3N4O — CID 58376645

IUPACN-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide
SMILES[H]/N=C1\CC(C(=O)N(CCC)C2CC2)CCN1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C14H21F3N4O/c1-2-6-20(10-3-4-10)12(22)9-5-7-21(11(18)8-9)13(19)14(15,16)17/h9-10,18-19H,2-8H2,1H3/b18-11+,19-13+
InChIKeyGVOMQEWLNBVMTR-NWLVNBMCSA-N
MW318.34 g/mol
LogP2.62
Rot. Bonds4

About N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide

N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide (PubChem CID 58376645) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide
PubChem CID58376645
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC NameN-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide
SMILES[H]/N=C1\CC(C(=O)N(CCC)C2CC2)CCN1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C14H21F3N4O/c1-2-6-20(10-3-4-10)12(22)9-5-7-21(11(18)8-9)13(19)14(15,16)17/h9-10,18-19H,2-8H2,1H3/b18-11+,19-13+
InChIKeyGVOMQEWLNBVMTR-NWLVNBMCSA-N
XLogP2.62
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide (CID 58376645) is N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide is [H]/N=C1\CC(C(=O)N(CCC)C2CC2)CCN1/C(=N/[H])C(F)(F)F.
What is the InChIKey of N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide?
The InChIKey is GVOMQEWLNBVMTR-NWLVNBMCSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-2-6-20(10-3-4-10)12(22)9-5-7-21(11(18)8-9)13(19)14(15,16)17/h9-10,18-19H,2-8H2,1H3/b18-11+,19-13+.
What are the key properties of N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide?
N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide is sourced from PubChem (CID 58376645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).