[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride

C16H25ClN4O — CID 119622124

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc(C2CC2)[nH]n1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H24N4O.ClH/c21-16(15-9-14(18-19-15)12-3-4-12)20-7-5-13(6-8-20)17-10-11-1-2-11;/h9,11-13,17H,1-8,10H2,(H,18,19);1H
InChIKeyIWJBDLJLFUHHAP-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.31
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride (PubChem CID 119622124) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
PubChem CID119622124
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc(C2CC2)[nH]n1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H24N4O.ClH/c21-16(15-9-14(18-19-15)12-3-4-12)20-7-5-13(6-8-20)17-10-11-1-2-11;/h9,11-13,17H,1-8,10H2,(H,18,19);1H
InChIKeyIWJBDLJLFUHHAP-UHFFFAOYSA-N
XLogP2.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644750
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887579
(1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 164640297
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-iodo-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119623972
(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623323
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 94199651
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 46576805
(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910898
3-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944769

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride (CID 119622124) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride is Cl.O=C(c1cc(C2CC2)[nH]n1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride?
The InChIKey is IWJBDLJLFUHHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.ClH/c21-16(15-9-14(18-19-15)12-3-4-12)20-7-5-13(6-8-20)17-10-11-1-2-11;/h9,11-13,17H,1-8,10H2,(H,18,19);1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride has a molecular weight of 324.86 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119622124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).