[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone

C17H28N4O — CID 119623043

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(NCC3CC3)CC2)nn1C
InChIInChI=1S/C17H28N4O/c1-12(2)16-10-15(19-20(16)3)17(22)21-8-6-14(7-9-21)18-11-13-4-5-13/h10,12-14,18H,4-9,11H2,1-3H3
InChIKeyBXKWPWBFVVMEGW-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.15
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 119623043) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
PubChem CID119623043
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(NCC3CC3)CC2)nn1C
InChIInChI=1S/C17H28N4O/c1-12(2)16-10-15(19-20(16)3)17(22)21-8-6-14(7-9-21)18-11-13-4-5-13/h10,12-14,18H,4-9,11H2,1-3H3
InChIKeyBXKWPWBFVVMEGW-UHFFFAOYSA-N
XLogP2.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 119489882
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone;hydrochloride
CID 119636614
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
CID 169284591
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119625337
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119622124
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-iodo-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119623972
N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 119480432
[(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124573456
(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623323

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone (CID 119623043) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC(NCC3CC3)CC2)nn1C.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is BXKWPWBFVVMEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)16-10-15(19-20(16)3)17(22)21-8-6-14(7-9-21)18-11-13-4-5-13/h10,12-14,18H,4-9,11H2,1-3H3.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 119623043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).