N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide

C17H30N6O — CID 156517320

IUPACN-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(n2cc(C3(NC(C)C)CC3)nn2)CC1
InChIInChI=1S/C17H30N6O/c1-12(2)18-16(24)22-9-5-14(6-10-22)23-11-15(20-21-23)17(7-8-17)19-13(3)4/h11-14,19H,5-10H2,1-4H3,(H,18,24)
InChIKeyZQOFRECPTDSMAB-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.02
Rot. Bonds5

About N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide

N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide (PubChem CID 156517320) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide
PubChem CID156517320
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(n2cc(C3(NC(C)C)CC3)nn2)CC1
InChIInChI=1S/C17H30N6O/c1-12(2)18-16(24)22-9-5-14(6-10-22)23-11-15(20-21-23)17(7-8-17)19-13(3)4/h11-14,19H,5-10H2,1-4H3,(H,18,24)
InChIKeyZQOFRECPTDSMAB-UHFFFAOYSA-N
XLogP2.02
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide (CID 156517320) is N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide is CC(C)NC(=O)N1CCC(n2cc(C3(NC(C)C)CC3)nn2)CC1.
What is the InChIKey of N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide?
The InChIKey is ZQOFRECPTDSMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-12(2)18-16(24)22-9-5-14(6-10-22)23-11-15(20-21-23)17(7-8-17)19-13(3)4/h11-14,19H,5-10H2,1-4H3,(H,18,24).
What are the key properties of N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide?
N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 156517320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).