[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C19H31N5O — CID 95725520

IUPAC[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCN(C(=O)[C@@H]3CC4(CCNCC4)CN3)CC2)c1
InChIInChI=1S/C19H31N5O/c1-15-11-22-24(12-15)13-16-2-8-23(9-3-16)18(25)17-10-19(14-21-17)4-6-20-7-5-19/h11-12,16-17,20-21H,2-10,13-14H2,1H3/t17-/m0/s1
InChIKeyXOZWCAVUXBNOQU-KRWDZBQOSA-N
MW345.49 g/mol
LogP1.16
Rot. Bonds3

About [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 95725520) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID95725520
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCN(C(=O)[C@@H]3CC4(CCNCC4)CN3)CC2)c1
InChIInChI=1S/C19H31N5O/c1-15-11-22-24(12-15)13-16-2-8-23(9-3-16)18(25)17-10-19(14-21-17)4-6-20-7-5-19/h11-12,16-17,20-21H,2-10,13-14H2,1H3/t17-/m0/s1
InChIKeyXOZWCAVUXBNOQU-KRWDZBQOSA-N
XLogP1.16
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91830233
N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 166351619
[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 95713857
2,8-diazaspiro[4.5]decan-3-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56905339
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 72866375
[(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 95729563
1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 118771293
[1-(2-aminoethyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70785601
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70781969
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70767184
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 118771094

Frequently Asked Questions

What is the IUPAC name of [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 95725520) is [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCN(C(=O)[C@@H]3CC4(CCNCC4)CN3)CC2)c1.
What is the InChIKey of [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is XOZWCAVUXBNOQU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-11-22-24(12-15)13-16-2-8-23(9-3-16)18(25)17-10-19(14-21-17)4-6-20-7-5-19/h11-12,16-17,20-21H,2-10,13-14H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 345.49 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95725520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).