[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone

C19H29N3O2 — CID 56722979

IUPAC[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C19H29N3O2/c23-18(17-2-1-15-24-17)22-13-11-21(12-14-22)16-3-5-19(6-4-16)7-9-20-10-8-19/h1-2,15-16,20H,3-14H2
InChIKeyPXKYBEQMTOMGOO-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.35
Rot. Bonds2

About [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 56722979) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID56722979
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C19H29N3O2/c23-18(17-2-1-15-24-17)22-13-11-21(12-14-22)16-3-5-19(6-4-16)7-9-20-10-8-19/h1-2,15-16,20H,3-14H2
InChIKeyPXKYBEQMTOMGOO-UHFFFAOYSA-N
XLogP2.35
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 95228253
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 764347
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56881949
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120917356
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7262090
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-(furan-2-carbonyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxylic acid
CID 74246742

Frequently Asked Questions

What is the IUPAC name of [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 56722979) is [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C2CCC3(CCNCC3)CC2)CC1.
What is the InChIKey of [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PXKYBEQMTOMGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(17-2-1-15-24-17)22-13-11-21(12-14-22)16-3-5-19(6-4-16)7-9-20-10-8-19/h1-2,15-16,20H,3-14H2.
What are the key properties of [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 56722979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).