N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide

C18H28N6O2 — CID 56865979

IUPACN-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(C(=O)Cn3cncn3)CC2)C1
InChIInChI=1S/C18H28N6O2/c25-17(11-24-13-19-12-20-24)22-8-5-16(6-9-22)23-7-1-2-14(10-23)18(26)21-15-3-4-15/h12-16H,1-11H2,(H,21,26)
InChIKeyDNKFCAXSAJSHAO-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.26
Rot. Bonds5

About N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56865979) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56865979
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(C(=O)Cn3cncn3)CC2)C1
InChIInChI=1S/C18H28N6O2/c25-17(11-24-13-19-12-20-24)22-8-5-16(6-9-22)23-7-1-2-14(10-23)18(26)21-15-3-4-15/h12-16H,1-11H2,(H,21,26)
InChIKeyDNKFCAXSAJSHAO-UHFFFAOYSA-N
XLogP0.26
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56865979) is N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(C2CCN(C(=O)Cn3cncn3)CC2)C1.
What is the InChIKey of N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is DNKFCAXSAJSHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c25-17(11-24-13-19-12-20-24)22-8-5-16(6-9-22)23-7-1-2-14(10-23)18(26)21-15-3-4-15/h12-16H,1-11H2,(H,21,26).
What are the key properties of N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56865979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).