1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile

C28H32FN5O2 — CID 142581362

IUPAC1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(CC2CC2)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C28H32FN5O2/c29-21-5-6-24-22(15-21)25(32-9-7-28(18-30,8-10-32)16-19-1-2-19)23(17-31-24)27(36)34-13-11-33(12-14-34)26(35)20-3-4-20/h5-6,15,17,19-20H,1-4,7-14,16H2
InChIKeyIOXNMWMNNXUJHI-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.98
Rot. Bonds5

About 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile

1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile (PubChem CID 142581362) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile
PubChem CID142581362
Molecular FormulaC28H32FN5O2
Molecular Weight489.60 g/mol
Exact Mass489.25
IUPAC Name1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(CC2CC2)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C28H32FN5O2/c29-21-5-6-24-22(15-21)25(32-9-7-28(18-30,8-10-32)16-19-1-2-19)23(17-31-24)27(36)34-13-11-33(12-14-34)26(35)20-3-4-20/h5-6,15,17,19-20H,1-4,7-14,16H2
InChIKeyIOXNMWMNNXUJHI-UHFFFAOYSA-N
XLogP3.98
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile (CID 142581362) is 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile is N#CC1(CC2CC2)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile?
The InChIKey is IOXNMWMNNXUJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2/c29-21-5-6-24-22(15-21)25(32-9-7-28(18-30,8-10-32)16-19-1-2-19)23(17-31-24)27(36)34-13-11-33(12-14-34)26(35)20-3-4-20/h5-6,15,17,19-20H,1-4,7-14,16H2.
What are the key properties of 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile?
1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile has a molecular weight of 489.60 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 142581362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).