3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C19H29N3O3 — CID 109030061

IUPAC3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCNC1CCCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H29N3O3/c23-18(9-10-20-16-6-3-1-2-4-7-16)21-11-13-22(14-12-21)19(24)17-8-5-15-25-17/h5,8,15-16,20H,1-4,6-7,9-14H2
InChIKeyJLTZHFFXQQBBBO-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.27
Rot. Bonds5

About 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 109030061) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID109030061
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCNC1CCCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H29N3O3/c23-18(9-10-20-16-6-3-1-2-4-7-16)21-11-13-22(14-12-21)19(24)17-8-5-15-25-17/h5,8,15-16,20H,1-4,6-7,9-14H2
InChIKeyJLTZHFFXQQBBBO-UHFFFAOYSA-N
XLogP2.27
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
CID 42695488
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
methyl 4-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797620
tert-butyl N-[3-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543198
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea
CID 112994619

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 109030061) is 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is O=C(CCNC1CCCCCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is JLTZHFFXQQBBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-18(9-10-20-16-6-3-1-2-4-7-16)21-11-13-22(14-12-21)19(24)17-8-5-15-25-17/h5,8,15-16,20H,1-4,6-7,9-14H2.
What are the key properties of 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 347.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109030061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).