[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone

C22H35N7O — CID 155502619

IUPAC[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
SMILESCCCn1ncc(CN2CCC(C3CCN(C(=O)c4n[nH]nc4C)CC3)CC2)c1C
InChIInChI=1S/C22H35N7O/c1-4-9-29-17(3)20(14-23-29)15-27-10-5-18(6-11-27)19-7-12-28(13-8-19)22(30)21-16(2)24-26-25-21/h14,18-19H,4-13,15H2,1-3H3,(H,24,25,26)
InChIKeyRVTNRXMTDVXXDL-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.79
Rot. Bonds6

About [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone

[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone (PubChem CID 155502619) has the molecular formula C22H35N7O and a molecular weight of 413.57 g/mol. Its IUPAC name is [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
PubChem CID155502619
Molecular FormulaC22H35N7O
Molecular Weight413.57 g/mol
Exact Mass413.29
IUPAC Name[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
SMILESCCCn1ncc(CN2CCC(C3CCN(C(=O)c4n[nH]nc4C)CC3)CC2)c1C
InChIInChI=1S/C22H35N7O/c1-4-9-29-17(3)20(14-23-29)15-27-10-5-18(6-11-27)19-7-12-28(13-8-19)22(30)21-16(2)24-26-25-21/h14,18-19H,4-13,15H2,1-3H3,(H,24,25,26)
InChIKeyRVTNRXMTDVXXDL-UHFFFAOYSA-N
XLogP2.79
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42242129
(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 165423805
4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
CID 77086335
1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine
CID 77098022
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 164694592
(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 163315933
(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 92589623
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42120451
2-[4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19622148
(3S,4R)-4-(2-methylphenyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 70778021
(2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 95142036
(1-ethyl-5-methylpyrazol-4-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19478179

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone?
The IUPAC name of [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone (CID 155502619) is [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone.
What is the SMILES notation for [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone?
The canonical SMILES for [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone is CCCn1ncc(CN2CCC(C3CCN(C(=O)c4n[nH]nc4C)CC3)CC2)c1C.
What is the InChIKey of [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone?
The InChIKey is RVTNRXMTDVXXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O/c1-4-9-29-17(3)20(14-23-29)15-27-10-5-18(6-11-27)19-7-12-28(13-8-19)22(30)21-16(2)24-26-25-21/h14,18-19H,4-13,15H2,1-3H3,(H,24,25,26).
What are the key properties of [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone?
[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone has a molecular weight of 413.57 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 155502619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).