4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide

C19H27N7O2 — CID 18452009

IUPAC4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CCN(C(=O)CCc3ccc4n[nH]nc4c3)CC2)CC1
InChIInChI=1S/C19H27N7O2/c20-19(28)26-7-5-15(6-8-26)24-9-11-25(12-10-24)18(27)4-2-14-1-3-16-17(13-14)22-23-21-16/h1,3,13,15H,2,4-12H2,(H2,20,28)(H,21,22,23)
InChIKeyGLQHKWTVEGGBBM-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.58
Rot. Bonds4

About 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide

4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide (PubChem CID 18452009) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide
PubChem CID18452009
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CCN(C(=O)CCc3ccc4n[nH]nc4c3)CC2)CC1
InChIInChI=1S/C19H27N7O2/c20-19(28)26-7-5-15(6-8-26)24-9-11-25(12-10-24)18(27)4-2-14-1-3-16-17(13-14)22-23-21-16/h1,3,13,15H,2,4-12H2,(H2,20,28)(H,21,22,23)
InChIKeyGLQHKWTVEGGBBM-UHFFFAOYSA-N
XLogP0.58
TPSA111.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[3-(3,4-diethylphenyl)propanoyl]piperidin-4-yl]piperazine-1-carboxamide
CID 173094944
4-[1-[3-[3,4-bis(1,1,2,2,2-pentafluoroethyl)phenyl]propanoyl]piperidin-4-yl]piperazine-1-carboxamide
CID 173094891
3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
CID 61116139
4-[1-[3-(3,4-diethylphenyl)propanoyl]azetidin-3-yl]piperazine-1-carboxamide
CID 173095090
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 86853553
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774449
1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 83278597
4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide
CID 21102082
3-(1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 158332053
4-(3,4-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 22054664

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide (CID 18452009) is 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide is NC(=O)N1CCC(N2CCN(C(=O)CCc3ccc4n[nH]nc4c3)CC2)CC1.
What is the InChIKey of 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide?
The InChIKey is GLQHKWTVEGGBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c20-19(28)26-7-5-15(6-8-26)24-9-11-25(12-10-24)18(27)4-2-14-1-3-16-17(13-14)22-23-21-16/h1,3,13,15H,2,4-12H2,(H2,20,28)(H,21,22,23).
What are the key properties of 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide?
4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 18452009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).