1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride

C18H25ClN4O — CID 119623896

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
SMILESCl.O=C(Cc1[nH]nc2ccccc12)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H24N4O.ClH/c23-18(11-17-15-3-1-2-4-16(15)20-21-17)22-9-7-14(8-10-22)19-12-13-5-6-13;/h1-4,13-14,19H,5-12H2,(H,20,21);1H
InChIKeyYHIYHRKPJMMOMF-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.52
Rot. Bonds5

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride (PubChem CID 119623896) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
PubChem CID119623896
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
SMILESCl.O=C(Cc1[nH]nc2ccccc12)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H24N4O.ClH/c23-18(11-17-15-3-1-2-4-16(15)20-21-17)22-9-7-14(8-10-22)19-12-13-5-6-13;/h1-4,13-14,19H,5-12H2,(H,20,21);1H
InChIKeyYHIYHRKPJMMOMF-UHFFFAOYSA-N
XLogP2.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 119646692
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
1-[2-(2H-indazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166712
2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-phenylethanone;hydrochloride
CID 119622418
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-phenylethanone
CID 119622419
1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2H-indazol-3-yl)ethanone
CID 135102219
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
2-(4-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623627
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone;hydrochloride
CID 119622352
2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623852
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 133265851

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride (CID 119623896) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride is Cl.O=C(Cc1[nH]nc2ccccc12)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride?
The InChIKey is YHIYHRKPJMMOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c23-18(11-17-15-3-1-2-4-16(15)20-21-17)22-9-7-14(8-10-22)19-12-13-5-6-13;/h1-4,13-14,19H,5-12H2,(H,20,21);1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 119623896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).