cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C19H29N5O — CID 70736180

IUPACcyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1
InChIInChI=1S/C19H29N5O/c25-19(15-3-4-15)23-11-7-14(8-12-23)18-21-20-17(24(18)16-5-6-16)13-22-9-1-2-10-22/h14-16H,1-13H2
InChIKeyQLJQLKHAWCUYHW-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.32
Rot. Bonds5

About cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70736180) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70736180
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Namecyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1
InChIInChI=1S/C19H29N5O/c25-19(15-3-4-15)23-11-7-14(8-12-23)18-21-20-17(24(18)16-5-6-16)13-22-9-1-2-10-22/h14-16H,1-13H2
InChIKeyQLJQLKHAWCUYHW-UHFFFAOYSA-N
XLogP2.32
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70736180) is cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is QLJQLKHAWCUYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c25-19(15-3-4-15)23-11-7-14(8-12-23)18-21-20-17(24(18)16-5-6-16)13-22-9-1-2-10-22/h14-16H,1-13H2.
What are the key properties of cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70736180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).