cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone

C18H28N6O2 — CID 124851829

IUPACcyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCCN1C(=O)C1CC1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C18H28N6O2/c25-17(15-4-5-15)24-6-2-1-3-16(24)18(26)22-10-7-21(8-11-22)9-12-23-14-19-13-20-23/h13-16H,1-12H2/t16-/m1/s1
InChIKeySYVJBHTXKHOIEJ-MRXNPFEDSA-N
MW360.46 g/mol
LogP0.21
Rot. Bonds5

About cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 124851829) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID124851829
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Namecyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCCN1C(=O)C1CC1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C18H28N6O2/c25-17(15-4-5-15)24-6-2-1-3-16(24)18(26)22-10-7-21(8-11-22)9-12-23-14-19-13-20-23/h13-16H,1-12H2/t16-/m1/s1
InChIKeySYVJBHTXKHOIEJ-MRXNPFEDSA-N
XLogP0.21
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 96581047
N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 121495008
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 72838935
1-[(2S)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95311304
(3S)-1-phenyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 97285430
1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 70734448
1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91840554
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 43421122
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110899775
(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118778339
methyl 1-[3-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 43410218
2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 70724671

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone (CID 124851829) is cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone is O=C([C@H]1CCCCN1C(=O)C1CC1)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is SYVJBHTXKHOIEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N6O2/c25-17(15-4-5-15)24-6-2-1-3-16(24)18(26)22-10-7-21(8-11-22)9-12-23-14-19-13-20-23/h13-16H,1-12H2/t16-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124851829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).