N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide

C17H28N4O — CID 92633802

IUPACN-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESCc1nn(C)cc1CN1CCC(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C17H28N4O/c1-13-16(11-20(2)19-13)12-21-7-5-14(6-8-21)9-17(22)18-10-15-3-4-15/h11,14-15H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyRDGWKBDUOBKIGA-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.86
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide

N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 92633802) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide
PubChem CID92633802
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESCc1nn(C)cc1CN1CCC(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C17H28N4O/c1-13-16(11-20(2)19-13)12-21-7-5-14(6-8-21)9-17(22)18-10-15-3-4-15/h11,14-15H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyRDGWKBDUOBKIGA-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56745532
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120842543
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 109482213
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 25460400

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide (CID 92633802) is N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide is Cc1nn(C)cc1CN1CCC(CC(=O)NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is RDGWKBDUOBKIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-16(11-20(2)19-13)12-21-7-5-14(6-8-21)9-17(22)18-10-15-3-4-15/h11,14-15H,3-10,12H2,1-2H3,(H,18,22).
What are the key properties of N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide?
N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 92633802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).