1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one

C22H26N2O — CID 119381181

IUPAC1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one
SMILESNC1CCCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1
InChIInChI=1S/C22H26N2O/c23-19-7-4-12-24(15-19)22(25)9-3-5-16-10-11-18-14-17-6-1-2-8-20(17)21(18)13-16/h1-2,6,8,10-11,13,19H,3-5,7,9,12,14-15,23H2
InChIKeyWXQDCVHIXNAGDT-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.53
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one

1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one (PubChem CID 119381181) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one
PubChem CID119381181
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one
SMILESNC1CCCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1
InChIInChI=1S/C22H26N2O/c23-19-7-4-12-24(15-19)22(25)9-3-5-16-10-11-18-14-17-6-1-2-8-20(17)21(18)13-16/h1-2,6,8,10-11,13,19H,3-5,7,9,12,14-15,23H2
InChIKeyWXQDCVHIXNAGDT-UHFFFAOYSA-N
XLogP3.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
CID 119379855
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247
1-[(3S)-3-aminopiperidin-1-yl]-4-(4-chlorophenyl)butan-1-one;hydrochloride
CID 154895459
4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide
CID 56800513
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115277240
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one (CID 119381181) is 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one is NC1CCCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one?
The InChIKey is WXQDCVHIXNAGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c23-19-7-4-12-24(15-19)22(25)9-3-5-16-10-11-18-14-17-6-1-2-8-20(17)21(18)13-16/h1-2,6,8,10-11,13,19H,3-5,7,9,12,14-15,23H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one?
1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one has a molecular weight of 334.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one is sourced from PubChem (CID 119381181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).