6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

C17H27N5O — CID 176695339

IUPAC6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESO=C1Cn2nccc2CCN1C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C17H27N5O/c23-17-13-22-16(3-9-19-22)6-12-21(17)15-4-10-20(11-5-15)14-1-7-18-8-2-14/h3,9,14-15,18H,1-2,4-8,10-13H2
InChIKeyAPHXDTHJVHRXSD-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.48
Rot. Bonds2

About 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 176695339) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID176695339
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESO=C1Cn2nccc2CCN1C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C17H27N5O/c23-17-13-22-16(3-9-19-22)6-12-21(17)15-4-10-20(11-5-15)14-1-7-18-8-2-14/h3,9,14-15,18H,1-2,4-8,10-13H2
InChIKeyAPHXDTHJVHRXSD-UHFFFAOYSA-N
XLogP0.48
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104288
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CID 71916722
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]acetamide
CID 91840624
4-[2-(2-Ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 102562540
3-fluoro-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 176694926
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104693901
4,4-difluoro-1-{[3-(3-piperidinyl)-1H-pyrazol-1-yl]acetyl}piperidine hydrochloride
CID 119059968
4,4-difluoro-1-{[5-(3-piperidinyl)-1H-pyrazol-1-yl]acetyl}piperidine hydrochloride
CID 119071865
1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426139
1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426140
1-(4,4-difluoropiperidin-1-yl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126448272
1-(4,4-difluoropiperidin-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126448273

Frequently Asked Questions

What is the IUPAC name of 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 176695339) is 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is O=C1Cn2nccc2CCN1C1CCN(C2CCNCC2)CC1.
What is the InChIKey of 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is APHXDTHJVHRXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17-13-22-16(3-9-19-22)6-12-21(17)15-4-10-20(11-5-15)14-1-7-18-8-2-14/h3,9,14-15,18H,1-2,4-8,10-13H2.
What are the key properties of 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 317.44 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-piperidin-4-ylpiperidin-4-yl)-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 176695339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).