N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide

C29H31N3O2 — CID 72549809

IUPACN-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C29H31N3O2/c33-27(15-14-22-8-2-1-3-9-22)30-17-16-28(34)31-18-20-32(21-19-31)29-25-12-6-4-10-23(25)24-11-5-7-13-26(24)29/h1-13,29H,14-21H2,(H,30,33)
InChIKeyUQCYVICKMUIPGD-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.04
Rot. Bonds7

About N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide

N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide (PubChem CID 72549809) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide
PubChem CID72549809
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C29H31N3O2/c33-27(15-14-22-8-2-1-3-9-22)30-17-16-28(34)31-18-20-32(21-19-31)29-25-12-6-4-10-23(25)24-11-5-7-13-26(24)29/h1-13,29H,14-21H2,(H,30,33)
InChIKeyUQCYVICKMUIPGD-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide
CID 72549808
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-5-oxopentanamide
CID 18418717
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-tert-butylphenyl)propanamide
CID 110626354
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide
CID 110306324
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
CID 110287317
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide (CID 72549809) is N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide?
The InChIKey is UQCYVICKMUIPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c33-27(15-14-22-8-2-1-3-9-22)30-17-16-28(34)31-18-20-32(21-19-31)29-25-12-6-4-10-23(25)24-11-5-7-13-26(24)29/h1-13,29H,14-21H2,(H,30,33).
What are the key properties of N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide?
N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide has a molecular weight of 453.59 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-3-phenylpropanamide is sourced from PubChem (CID 72549809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).